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4-(4-(benzyloxy)-2-methoxyphenoxy)-7-methoxyquinolin-6-ol
4-(4-(benzyloxy)-2-methoxyphenoxy)-7-methoxyquinolin-6-ol
ID: BP-11878
Supplier:BroadPharm

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SMILES:c1(c(cc2c(c1)c(ccn2)Oc1c(cc(cc1)OCc1ccccc1)OC)OC)O	
FORMULA: C24H21NO5
MASS: 403.4272
EXACT MASS: 403.1419728
INTERATOMIC DISTANCES

              C   1      C   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    0.6000     0.0000 
   C   3    1.0392     0.6000     0.0000 
   C   4    1.2000     1.0392     0.6000     0.0000 
   C   5    1.0392     1.2000     1.0392     0.6000     0.0000 
   C   6    0.6000     1.0392     1.2000     1.0392     0.6000     0.0000 
   N   7    1.8000     1.5874     1.0392     0.6000     1.0392     1.5874 
   C   8    2.1633     2.0784     1.5874     1.0392     1.2000     1.8000 
   C   9    2.0784     2.1633     1.8000     1.2000     1.0392     1.5874 
   C  10    1.5874     1.8000     1.5874     1.0392     0.6000     1.0392 
   O  11    1.7989     2.1618     2.0766     1.5855     1.0374     1.1989 
   C  12    2.3989     2.7481     2.6136     2.0766     1.5858     1.7989 
   C  13    2.7488     2.9989     2.7481     2.1618     1.7989     2.1627 
   C  14    3.3398     3.5989     3.3393     2.7481     2.3989     2.7488 
   C  15    3.5989     3.9331     3.7454     3.1733     2.7481     2.9989 
   C  16    3.3393     3.7454     3.6479     3.1159     2.6136     2.7481 
   C  17    2.7481     3.1733     3.1159     2.6134     2.0766     2.1618 
   O  18    4.1969     4.5266     4.3232     3.7435     3.3373     3.5969 
   C  19    4.5254     4.9064     4.7572     4.1948     3.7420     3.9299 
   O  20    2.6153     2.7495     2.3999     1.8000     1.5874     2.0784 
   C  21    3.1809     3.2637     2.8559     2.2644     2.1433     2.6625 
   O  22    0.5980     1.0375     1.5856     1.7980     1.5855     1.0375 
   O  23    1.0375     0.5980     1.0375     1.5855     1.7980     1.5856 
   C  24    1.3257     1.1068     1.6245     2.1414     2.2623     1.9246 
   C  25    5.1219     5.4943     5.3279     4.7572     4.3218     4.5254 
   C  26    5.3958     5.7191     5.4943     4.9064     4.5254     4.7958 
   C  27    5.9958     6.3169     6.0846     5.4943     5.1219     5.3958 
   C  28    6.3169     6.6766     6.4851     5.9043     5.4943     5.7191 
   C  29    6.0846     6.4851     6.3447     5.7810     5.3279     5.4943 
   C  30    5.4943     5.9043     5.7810     5.2254     4.7572     4.9064 

              N   7      C   8      C   9      C  10      O  11      C  12
              ------------------------------------------------------------------
   N   7    0.0000 
   C   8    0.6000     0.0000 
   C   9    1.0392     0.6000     0.0000 
   C  10    1.2000     1.0392     0.6000     0.0000 
   O  11    1.7979     1.5855     1.0374     0.5979     0.0000 
   C  12    2.1613     1.7979     1.1979     1.0374     0.6000     0.0000 
   C  13    2.0766     1.5855     1.0374     1.1989     1.0392     0.6000 
   C  14    2.6136     2.0766     1.5858     1.7989     1.5874     1.0392 
   C  15    3.1159     2.6134     2.0766     2.1618     1.8000     1.2000 
   C  16    3.1729     2.7475     2.1613     2.0766     1.5874     1.0392 
   C  17    2.7475     2.3979     1.7979     1.5855     1.0392     0.6000 
   O  18    3.6461     3.1141     2.6118     2.7462     2.3980     1.7980 
   C  19    4.1515     3.6442     3.1123     3.1698     2.7462     2.1599 
   O  20    1.5874     1.0392     0.6000     1.0392     1.1989     1.0374 
   C  21    1.9266     1.3277     1.1087     1.6262     1.7854     1.5223 
   O  22    2.3980     2.7475     2.6135     2.0767     2.1613     2.7475 
   O  23    2.0767     2.6135     2.7475     2.3980     2.7462     3.3373 
   C  24    2.6608     3.1790     3.2617     2.8539     3.1225     3.7223 
   C  25    4.6808     4.1515     3.6444     3.7420     3.3373     2.7462 
   C  26    4.7572     4.1948     3.7420     3.9299     3.5969     2.9969 
   C  27    5.3279     4.7572     4.3218     4.5254     4.1969     3.5969 
   C  28    5.7810     5.2254     4.7572     4.9064     4.5266     3.9312 
   C  29    5.7183     5.1908     4.6808     4.7572     4.3232     3.7435 
   C  30    5.1908     4.6807     4.1515     4.1948     3.7435     3.1714 

              C  13      C  14      C  15      C  16      C  17      O  18
              ------------------------------------------------------------------
   C  13    0.0000 
   C  14    0.6000     0.0000 
   C  15    1.0392     0.6000     0.0000 
   C  16    1.2000     1.0392     0.6000     0.0000 
   C  17    1.0392     1.2000     1.0392     0.6000     0.0000 
   O  18    1.5856     1.0375     0.5980     1.0375     1.5855     0.0000 
   C  19    2.0749     1.5840     1.0357     1.1970     1.7969     0.5979 
   O  20    0.5979     1.0374     1.5855     1.7979     1.5855     2.0749 
   C  21    0.9504     1.0549     1.6543     2.0374     1.9853     2.0052 
   O  22    3.1729     3.7450     3.9324     3.5979     2.9979     4.5258 
   O  23    3.5969     4.1969     4.5266     4.3232     3.7435     5.1211 
   C  24    4.0436     4.6407     4.9220     4.6616     4.0676     5.5199 
   C  25    2.6118     2.0749     1.5840     1.7969     2.3969     1.0374 
   C  26    2.7462     2.1599     1.7969     2.1608     2.7469     1.1989 
   C  27    3.3373     2.7462     2.3969     2.7469     3.3379     1.7989 
   C  28    3.7435     3.1714     2.7462     2.9969     3.5969     2.1618 
   C  29    3.6461     3.1141     2.6118     2.7462     3.3373     2.0766 
   C  30    3.1141     2.6118     2.0749     2.1599     2.7462     1.5855 

              C  19      O  20      C  21      O  22      O  23      C  24
              ------------------------------------------------------------------
   C  19    0.0000 
   O  20    2.6099     0.0000 
   C  21    2.5909     0.6000     0.0000 
   O  22    4.7949     3.1159     3.6987     0.0000 
   O  23    5.4924     3.3386     3.8401     1.1980     0.0000 
   C  24    5.8501     3.8400     4.3663     1.1929     0.5999     0.0000 
   C  25    0.6000     3.1123     3.0131     5.3948     6.0826     6.4471 
   C  26    1.0392     3.1698     2.9571     5.7186     6.3149     6.7187 
   C  27    1.5874     3.7420     3.4914     6.3164     6.9131     7.3186 
   C  28    1.8000     4.1948     3.9963     6.5948     7.2680     7.6425 
   C  29    1.5874     4.1515     4.0379     6.3161     7.0671     7.4049 
   C  30    1.0392     3.6442     3.5859     5.7183     6.4831     6.8126 

              C  25      C  26      C  27      C  28      C  29      C  30
              ------------------------------------------------------------------
   C  25    0.0000 
   C  26    0.6000     0.0000 
   C  27    1.0392     0.6000     0.0000 
   C  28    1.2000     1.0392     0.6000     0.0000 
   C  29    1.0392     1.2000     1.0392     0.6000     0.0000 
   C  30    0.6000     1.0392     1.2000     1.0392     0.6000     0.0000 




ATOMIC CHARGES
   C   1    0.2294773492
   C   2    0.1788722140
   C   3    0.0593947243
   C   4    0.0874752709
   C   5    0.0556139257
   C   6    0.0497544749
   N   7   -0.2435275854
   C   8    0.1019687360
   C   9    0.0581497638
   C  10    0.1484580745
   O  11   -0.4503281899
   C  12    0.1791410742
   C  13    0.1759873056
   C  14    0.0769283616
   C  15    0.1422873214
   C  16    0.0402558594
   C  17    0.0437561818
   O  18   -0.4705351977
   C  19    0.2319864567
   O  20   -0.4682466952
   C  21    0.2526229826
   O  22   -0.2833203748
   O  23   -0.4681464320
   C  24    0.2526248906
   C  25    0.0211608587
   C  26   -0.0006896248
   C  27   -0.0002074836
   C  28   -0.0000171340
   C  29   -0.0002074836
   C  30   -0.0006896248


BOND ANGLES
   2    1    6  Car  Car  Car    120.001
   2    1   22  Car  Car   O3    119.999
   6    1   22  Car  Car   O3    120.000
   1    2    3  Car  Car  Car    120.001
   1    2   23  Car  Car   O3    119.999
   3    2   23  Car  Car   O3    120.000
   2    3    4  Car  Car  Car    119.999
   3    4    5  Car  Car  Car    120.001
   3    4    7  Car  Car  Nar    119.999
   5    4    7  Car  Car  Nar    120.001
   4    5    6  Car  Car  Car    120.001
   4    5   10  Car  Car  Car    120.001
   6    5   10  Car  Car  Car    119.999
   1    6    5  Car  Car  Car    119.999
   4    7    8  Car  Nar  Car    119.999
   7    8    9  Nar  Car  Car    120.001
   8    9   10  Car  Car  Car    120.001
   5   10    9  Car  Car  Car    119.999
   9   10   11  Car  Car   O3    120.001
   5   10   11  Car  Car   O3    120.001
  10   11   12  Car   O3  Car    120.001
  11   12   13   O3  Car  Car    119.999
  11   12   17   O3  Car  Car    120.001
  13   12   17  Car  Car  Car    120.001
  12   13   14  Car  Car  Car    119.999
  12   13   20  Car  Car   O3    120.001
  14   13   20  Car  Car   O3    120.001
  13   14   15  Car  Car  Car    120.001
  14   15   16  Car  Car  Car    120.001
  14   15   18  Car  Car   O3    119.999
  16   15   18  Car  Car   O3    120.000
  15   16   17  Car  Car  Car    119.999
  12   17   16  Car  Car  Car    120.001
  15   18   19  Car   O3   C3    119.999
  18   19   25   O3   C3  Car    120.001
  13   20   21  Car   O3   C3    105.000
   2   23   24  Car   O3   C3    134.999
  19   25   26   C3  Car  Car    119.999
  19   25   30   C3  Car  Car    120.001
  26   25   30  Car  Car  Car    120.001
  25   26   27  Car  Car  Car    119.999
  26   27   28  Car  Car  Car    120.001
  27   28   29  Car  Car  Car    120.001
  28   29   30  Car  Car  Car    119.999
  25   30   29  Car  Car  Car    120.001


TORSION ANGLES
   6    1    2    3      0.026
   6    1    2   23    179.974
  22    1    2    3    179.974
  22    1    2   23      0.026
   1    2    3    4      0.026
  23    2    3    4    179.974
   2    3    4    5      0.026
   2    3    4    7    179.974
   3    4    5    6      0.026
   3    4    5   10    179.974
   7    4    5    6    179.974
   7    4    5   10      0.026
   4    5    6    1      0.026
  10    5    6    1    179.974
   5    6    1    2      0.026
   5    6    1   22    179.974
   3    4    7    8    179.974
   5    4    7    8      0.026
   4    7    8    9      0.026
   7    8    9   10      0.026
   8    9   10    5      0.026
   8    9   10   11    179.974
   9   10    5    4      0.026
   9   10    5    6    179.974
  11   10    5    4    179.974
  11   10    5    6      0.026
   9   10   11   12      0.026
   5   10   11   12    179.974
  10   11   12   13      0.026
  10   11   12   17    179.974
  11   12   13   14    179.974
  11   12   13   20      0.026
  17   12   13   14      0.026
  17   12   13   20    179.974
  12   13   14   15      0.026
  20   13   14   15    179.974
  13   14   15   16      0.026
  13   14   15   18    179.974
  14   15   16   17      0.026
  18   15   16   17    179.974
  15   16   17   12      0.026
  16   17   12   11    179.974
  16   17   12   13      0.026
  14   15   18   19    179.974
  16   15   18   19      0.026
  15   18   19   25    179.974
  12   13   20   21    179.974
  14   13   20   21      0.026
   1    2   23   24      0.026
   3    2   23   24    179.974
  18   19   25   26      0.026
  18   19   25   30    179.974
  19   25   26   27    179.974
  30   25   26   27      0.026
  25   26   27   28      0.026
  26   27   28   29      0.026
  27   28   29   30      0.026
  28   29   30   25      0.026
  29   30   25   19    179.974
  29   30   25   26      0.026