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4-(6,7-dimethoxyquinolin-4-yloxy)-2-methoxyphenol
4-(6,7-dimethoxyquinolin-4-yloxy)-2-methoxyphenol
ID: BP-11802
Supplier:BroadPharm

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SMILES:c12c(cc(c(c1)OC)OC)nccc2Oc1cc(c(cc1)O)OC	
FORMULA: C18H17NO5
MASS: 327.3313
EXACT MASS: 327.1106726
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    0.5975     1.0378     0.0000 
   C   4    0.6010     1.0398     1.0375     0.0000 
   C   5    1.0378     0.5975     1.2000     1.5863     0.0000 
   C   6    1.0375     1.1985     0.6010     1.5869     1.0398     0.0000 
   C   7    1.1985     1.0375     1.0398     1.7995     0.6010     0.6000 
   O   8    1.0398     1.5878     1.1985     0.6000     2.0776     1.7995 
   C   9    2.0740     2.6109     2.1571     1.5826     3.1118     2.7442 
   C  10    2.6117     3.1139     2.7442     2.0740     3.6443     3.3363 
   N  11    1.0398     0.6010     1.5863     1.2000     1.0375     1.7995 
   C  12    1.5832     2.0740     1.7939     1.0342     2.6093     2.3950 
   C  13    2.7474     3.1723     2.9961     2.1602     3.7425     3.5971 
   C  14    2.3986     2.7474     2.7461     1.7976     3.3364     3.3383 
   C  15    1.0417     1.2021     1.5870     0.6011     1.7996     2.0792 
   C  16    1.2021     1.0417     1.7996     1.0399     1.5870     2.1640 
   C  17    1.7975     2.1601     2.1589     1.1965     2.7442     2.7461 
   O  18    1.5829     1.7960     1.0375     2.0750     1.5863     0.5975 
   O  19    1.7960     1.5829     1.5863     2.3970     1.0375     1.0378 
   O  20    3.1139     3.6457     3.1695     2.6109     4.1516     3.7425 
   O  21    3.3363     3.7425     3.5935     2.7442     4.3201     4.1945 
   C  22    2.1571     1.7939     2.0740     2.7442     1.1964     1.5825 
   C  23    1.7939     2.1571     1.1965     2.1589     2.0740     1.0342 
   C  24    3.6409     4.1480     3.7366     3.1082     4.6757     4.3172 

              C   7      O   8      C   9      C  10      N  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   O   8    2.1629     0.0000 
   C   9    3.1695     1.0342     0.0000 
   C  10    3.7425     1.5832     0.6010     0.0000 
   N  11    1.5869     1.8000     2.7450     3.1705     0.0000 
   C  12    2.7442     0.5954     0.6000     1.0398     2.1587     0.0000 
   C  13    3.9312     1.7976     1.0417     0.6011     3.1139     1.2021 
   C  14    3.5971     1.5862     1.2021     1.0399     2.6118     1.0417 
   C  15    2.1640     1.0399     1.7959     2.1586     1.0399     1.1959 
   C  16    2.0792     1.5879     2.3959     2.7450     0.6011     1.7959 
   C  17    2.9960     1.0375     1.0398     1.2000     2.0740     0.6010 
   O  18    1.0378     2.1600     2.9924     3.5935     2.3970     2.7422 
   O  19    0.5975     2.7469     3.7396     4.3201     2.0750     3.3331 
   O  20    4.1954     2.0740     1.0398     0.6000     3.7426     1.5878 
   O  21    4.5242     2.3950     1.5869     1.0375     3.6443     1.7995 
   C  22    1.0341     3.1695     4.1895     4.7527     2.1588     3.7366 
   C  23    1.5826     2.0750     2.7435     3.3358     2.7442     2.6090 
   C  24    4.7527     2.6059     1.5831     1.0341     4.1906     2.0740 

              C  13      C  14      C  15      C  16      C  17      O  18
              ------------------------------------------------------------------
   C  13    0.0000 
   C  14    0.6000     0.0000 
   C  15    2.0740     1.5832     0.0000 
   C  16    2.6109     2.0740     0.6000     0.0000 
   C  17    1.0399     0.6011     1.0342     1.5826     0.0000 
   O  18    3.9293     3.7422     2.6132     2.7475     3.1690     0.0000 
   O  19    4.5243     4.1946     2.7475     2.6132     3.5935     1.2000 
   O  20    1.0399     1.5879     2.7450     3.3361     1.8000     3.9278 
   O  21    0.5974     1.0377     2.6092     3.1118     1.5863     4.5219 
   C  22    4.9027     4.5218     2.9960     2.7461     3.9253     1.7958 
   C  23    3.7432     3.6458     2.7461     2.9961     3.1125     0.5959 
   C  24    1.1958     1.7958     3.1651     3.7374     2.1586     4.5184 

              O  19      O  20      O  21      C  22      C  23      C  24
              ------------------------------------------------------------------
   O  19    0.0000 
   O  20    4.7559     0.0000 
   O  21    5.1184     1.1985     0.0000 
   C  22    0.5958     5.2209     5.4884     0.0000 
   C  23    1.7959     3.5955     4.3200     2.3917     0.0000 
   C  24    5.3213     0.5954     1.0362     5.7714     4.1909     0.0000 




ATOMIC CHARGES
   C   1    0.0554433098
   C   2    0.0874708116
   C   3    0.0445855182
   C   4    0.1483116351
   C   5    0.0592189646
   C   6    0.1725838874
   C   7    0.1738905246
   O   8   -0.4532883556
   C   9    0.0776618141
   C  10    0.1804124912
   N  11   -0.2435276038
   C  12    0.1485381599
   C  13    0.2294833536
   C  14    0.0483473876
   C  15    0.0581477777
   C  16    0.1019687278
   C  17    0.0409852989
   O  18   -0.4683687155
   O  19   -0.4683202393
   O  20   -0.4680925784
   O  21   -0.2833202949
   C  22    0.2526215785
   C  23    0.2526206299
   C  24    0.2526259172


BOND ANGLES
   2    1    3  Car  Car  Car    120.140
   2    1    4  Car  Car  Car    119.944
   3    1    4  Car  Car  Car    119.917
   1    2    5  Car  Car  Car    120.140
   1    2   11  Car  Car  Nar    119.944
   5    2   11  Car  Car  Nar    119.917
   1    3    6  Car  Car  Car    119.917
   1    4    8  Car  Car   O3    119.944
   1    4   15  Car  Car  Car    120.118
   8    4   15   O3  Car  Car    119.939
   2    5    7  Car  Car  Car    119.917
   3    6    7  Car  Car  Car    119.944
   3    6   18  Car  Car   O3    119.917
   7    6   18  Car  Car   O3    120.140
   6    7   19  Car  Car   O3    120.140
   5    7    6  Car  Car  Car    119.944
   5    7   19  Car  Car   O3    119.917
   4    8   12  Car   O3  Car    119.799
  10    9   12  Car  Car  Car    119.944
   9   10   13  Car  Car  Car    120.118
   9   10   20  Car  Car   O3    119.944
  13   10   20  Car  Car   O3    119.939
   2   11   16  Car  Nar  Car    120.118
   8   12    9   O3  Car  Car    119.799
   9   12   17  Car  Car  Car    119.944
   8   12   17   O3  Car  Car    120.258
  10   13   21  Car  Car   O3    119.917
  10   13   14  Car  Car  Car    119.939
  14   13   21  Car  Car   O3    120.145
  13   14   17  Car  Car  Car    119.939
   4   15   16  Car  Car  Car    119.939
  11   16   15  Nar  Car  Car    119.939
  12   17   14  Car  Car  Car    120.118
   6   18   23  Car   O3   C3    120.140
   7   19   22  Car   O3   C3    120.140
  10   20   24  Car   O3   C3    119.790


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