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4-(6,7-dimethoxyquinolin-4-yloxy)phenol
4-(6,7-dimethoxyquinolin-4-yloxy)phenol
ID: BP-11879
Supplier:BroadPharm

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SMILES:c12c(cc(c(c1)OC)OC)nccc2Oc1ccc(cc1)O	
FORMULA: C17H15NO4
MASS: 297.3053
EXACT MASS: 297.1001080
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    0.6010     1.0398     0.0000 
   C   4    0.5975     1.0378     1.0375     0.0000 
   C   5    1.0398     0.6010     1.2000     1.5863     0.0000 
   C   6    1.0417     1.2021     0.6011     1.5870     1.0399     0.0000 
   C   7    1.2021     1.0417     1.0399     1.7996     0.6011     0.6000 
   O   8    1.0341     1.5825     1.1964     0.5958     2.0740     1.7975 
   N   9    1.0378     0.5975     1.5863     1.2000     1.0375     1.7996 
   C  10    1.0375     1.1985     1.5869     0.6010     1.7995     2.0792 
   C  11    1.5831     2.0740     1.7974     1.0362     2.6116     2.3985 
   C  12    1.1985     1.0375     1.7995     1.0398     1.5869     2.1640 
   C  13    2.7442     3.1695     2.9959     2.1600     3.7424     3.5970 
   O  14    1.5869     1.7995     1.0375     2.0750     1.5863     0.5974 
   O  15    1.7995     1.5869     1.5863     2.3970     1.0375     1.0377 
   C  16    1.7974     2.1600     2.1628     1.2000     2.7473     2.7500 
   C  17    2.0740     2.6108     2.1600     1.5839     3.1138     2.7474 
   C  18    2.6116     3.1138     2.7473     2.0760     3.6466     3.3395 
   C  19    2.3949     2.7442     2.7460     1.7974     3.3362     3.3382 
   O  20    3.3362     3.7424     3.5970     2.7473     4.3230     4.1981 
   C  21    2.2639     2.1425     1.9255     2.8528     1.6240     1.3255 
   C  22    2.1422     2.2625     1.6244     2.6589     1.9232     1.1049 

              C   7      O   8      N   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   O   8    2.1601     0.0000 
   N   9    1.5870     1.7958     0.0000 
   C  10    2.1640     1.0362     1.0398     0.0000 
   C  11    2.7474     0.6010     2.1595     1.1958     0.0000 
   C  12    2.0792     1.5839     0.6010     0.6000     1.7958     0.0000 
   C  13    3.9311     1.7995     3.1138     2.0740     1.1985     2.6108 
   O  14    1.0377     2.1588     2.3970     2.6131     2.7460     2.7474 
   O  15    0.5974     2.7442     2.0750     2.7474     3.3362     2.6131 
   C  16    2.9996     1.0416     2.0760     1.0362     0.6010     1.5839 
   C  17    3.1722     1.0398     2.7456     1.7958     0.6000     2.3958 
   C  18    3.7453     1.5890     3.1717     2.1595     1.0398     2.7456 
   C  19    3.5970     1.5869     2.6116     1.5831     1.0375     2.0740 
   O  20    4.5276     2.4006     3.6466     2.6116     1.7995     3.1138 
   C  21    1.1055     3.1208     2.6587     3.2614     3.7216     3.1783 
   C  22    1.3232     2.7592     2.8513     3.1782     3.3454     3.2605 

              C  13      O  14      O  15      C  16      C  17      C  18
              ------------------------------------------------------------------
   C  13    0.0000 
   O  14    3.9292     0.0000 
   O  15    4.5242     1.2000     0.0000 
   C  16    1.0378     3.1730     3.5970     0.0000 
   C  17    1.0375     2.9959     3.7424     1.0398     0.0000 
   C  18    0.5975     3.5970     4.3230     1.2000     0.6010     0.0000 
   C  19    0.6000     3.7421     4.1944     0.5975     1.1985     1.0378 
   O  20    0.6010     4.5256     5.1217     1.5863     1.5869     1.0375 
   C  21    4.9198     1.1955     0.5994     4.0440     4.0670     4.6619 
   C  22    4.5256     0.6004     1.1919     3.7719     3.5800     4.1806 

              C  19      O  20      C  21      C  22
              --------------------------------------------
   C  19    0.0000 
   O  20    1.0398     0.0000 
   C  21    4.6384     5.5208     0.0000 
   C  22    4.3424     5.1208     0.8875     0.0000 



ATOMIC CHARGES
   C   1    0.0554433017
   C   2    0.0874708116
   C   3    0.0445855182
   C   4    0.1483097326
   C   5    0.0592189646
   C   6    0.1725838874
   C   7    0.1738905246
   O   8   -0.4533923753
   N   9   -0.2435276038
   C  10    0.0581477696
   C  11    0.1455048090
   C  12    0.1019687278
   C  13    0.1959467097
   O  14   -0.4683687155
   O  15   -0.4683202393
   C  16    0.0407730902
   C  17    0.0407730902
   C  18    0.0451586412
   C  19    0.0451586412
   O  20   -0.2865674942
   C  21    0.2526215785
   C  22    0.2526206299


BOND ANGLES
   2    1    3  Car  Car  Car    119.944
   2    1    4  Car  Car  Car    120.140
   3    1    4  Car  Car  Car    119.917
   1    2    5  Car  Car  Car    119.944
   1    2    9  Car  Car  Nar    120.140
   5    2    9  Car  Car  Nar    119.917
   1    3    6  Car  Car  Car    120.118
   1    4    8  Car  Car   O3    120.140
   1    4   10  Car  Car  Car    119.917
   8    4   10   O3  Car  Car    119.944
   2    5    7  Car  Car  Car    120.118
   3    6    7  Car  Car  Car    119.939
   3    6   14  Car  Car   O3    119.917
   7    6   14  Car  Car   O3    120.145
   6    7   15  Car  Car   O3    120.145
   5    7    6  Car  Car  Car    119.939
   5    7   15  Car  Car   O3    119.917
   4    8   11  Car   O3  Car    119.944
   2    9   12  Car  Nar  Car    119.917
   4   10   12  Car  Car  Car    119.944
   8   11   16   O3  Car  Car    120.113
   8   11   17   O3  Car  Car    119.944
  16   11   17  Car  Car  Car    119.944
   9   12   10  Nar  Car  Car    119.944
  18   13   20  Car  Car   O3    119.917
  18   13   19  Car  Car  Car    120.140
  19   13   20  Car  Car   O3    119.944
   6   14   22  Car   O3   C3    134.569
   7   15   21  Car   O3   C3    134.947
  11   16   19  Car  Car  Car    119.917
  11   17   18  Car  Car  Car    119.944
  13   18   17  Car  Car  Car    119.917
  13   19   16  Car  Car  Car    120.140


TORSION ANGLES
   5    2    1    3      0.026
   5    2    1    4    179.974
   9    2    1    3    179.974
   9    2    1    4      0.026
   6    3    1    2      0.026
   6    3    1    4    179.974
   8    4    1    2    179.974
   8    4    1    3      0.026
  10    4    1    2      0.026
  10    4    1    3    179.974
   7    5    2    1      0.026
   7    5    2    9    179.974
   7    6    3    1      0.026
  14    6    3    1    179.974
  15    7    6    3    179.974
  15    7    6   14      0.026
   5    7    6    3      0.026
   5    7    6   14    179.974
  11    8    4    1    179.974
  11    8    4   10      0.026
  12    9    2    1      0.026
  12    9    2    5    179.974
  12   10    4    1      0.026
  12   10    4    8    179.974
  16   11    8    4      0.026
  17   11    8    4    179.974
   9   12   10    4      0.026
  20   13   18   17    179.974
  19   13   18   17      0.026
  22   14    6    3    179.974
  22   14    6    7      0.026
  21   15    7    6      0.026
  21   15    7    5    179.974
  19   16   11    8    179.974
  19   16   11   17      0.026
  18   17   11    8    179.974
  18   17   11   16      0.026
  13   18   17   11      0.026
  13   19   16   11      0.026
  10   12    9    2      0.026
   2    5    7    6      0.026
   2    5    7   15    179.974
  18   13   19   16      0.026
  20   13   19   16    179.974