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N-(2-hydroxyphenyl)quinoxaline-2-carboxamide
N-(2-hydroxyphenyl)quinoxaline-2-carboxamide
ID: BP-11622
Supplier:BroadPharm

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SMILES:c1(nc2c(nc1)cccc2)C(=O)Nc1c(O)cccc1	
FORMULA: C15H11N3O2
MASS: 265.2667
EXACT MASS: 265.0851266
INTERATOMIC DISTANCES

              C   1      N   2      C   3      N   4      N   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   N   2    0.6011     0.0000 
   C   3    0.5974     1.0375     0.0000 
   N   4    1.0375     1.5870     0.6011     0.0000 
   N   5    1.0399     1.2000     1.5863     1.7996     0.0000 
   C   6    1.6016     2.1050     1.0683     0.5969     2.3939     0.0000 
   C   7    1.0417     0.6010     1.5869     2.0792     1.0398     2.6361 
   C   8    0.6000     1.0399     1.0377     1.1985     0.6011     1.7931 
   O   9    1.0377     1.1985     0.6000     1.0399     2.0776     1.2535 
   C  10    1.2021     1.0398     1.7995     2.1640     0.6010     2.7566 
   C  11    2.0736     2.6237     1.6070     1.0390     2.7099     0.6001 
   O  12    2.1282     2.7213     1.7982     1.1993     2.5368     1.0369 
   C  13    1.8485     2.2334     1.2524     1.0384     2.7799     0.6032 
   C  14    1.5870     1.0375     2.0750     2.6132     1.5863     3.1422 
   C  15    2.6200     3.1419     2.1066     1.5847     3.3033     1.0390 
   C  16    1.7996     1.5863     2.3970     2.7475     1.0375     3.3427 
   C  17    2.4485     2.8274     1.8529     1.5859     3.3636     1.0410 
   C  18    2.0792     1.5869     2.6131     3.1167     1.7995     3.6705 
   C  19    2.7806     3.2328     2.2088     1.8001     3.5946     1.2032 
   C  20    2.1640     1.7995     2.7474     3.1739     1.5869     3.7580 

              C   7      C   8      O   9      C  10      C  11      O  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    1.2021     0.0000 
   O   9    1.7995     1.5865     0.0000 
   C  10    0.6000     1.0417     2.1629     0.0000 
   C  11    3.1144     2.1284     1.8527     3.1511     0.0000 
   O  12    3.1302     2.0110     2.1906     3.0518     0.5991     0.0000 
   C  13    2.8162     2.1879     1.1307     3.0497     1.0407     1.5877 
   C  14    0.5975     1.7996     2.1600     1.0378     3.6521     3.7054 
   C  15    3.6607     2.7174     2.2356     3.7311     0.5969     1.0351 
   C  16    1.0378     1.5870     2.7469     0.5975     3.7145     3.5721 
   C  17    3.4139     2.7668     1.6892     3.6490     1.1982     1.7973 
   C  18    1.0375     2.1640     2.7474     1.1985     4.1514     4.1477 
   C  19    3.7957     2.9944     2.1734     3.9550     1.0376     1.5843 
   C  20    1.1985     2.0792     2.9980     1.0375     4.1790     4.0888 

              C  13      C  14      C  15      C  16      C  17      C  18
              ------------------------------------------------------------------
   C  13    0.0000 
   C  14    3.2497     0.0000 
   C  15    1.2017     4.1783     0.0000 
   C  16    3.6469     1.2000     4.3010     0.0000 
   C  17    0.6008     3.8350     1.0390     4.2459     0.0000 
   C  18    3.8189     0.6010     4.6977     1.0398     4.4101     0.0000 
   C  19    1.0436     4.2633     0.5995     4.5438     0.6026     4.8180 
   C  20    3.9942     1.0398     4.7527     0.6010     4.5945     0.6000 

              C  19      C  20
              ----------------------
   C  19    0.0000 
   C  20    4.9445     0.0000 



ATOMIC CHARGES
   C   1    0.1554987491
   N   2   -0.2375979726
   C   3    0.2883503310
   N   4   -0.1708721788
   N   5   -0.2405851724
   C   6    0.1125084889
   C   7    0.0990563388
   C   8    0.1225846292
   O   9   -0.2662912273
   C  10    0.0989452232
   C  11    0.2108576745
   O  12   -0.2851770835
   C  13    0.0198591370
   C  14    0.0206341288
   C  15    0.0433965661
   C  16    0.0206326422
   C  17    0.0015423703
   C  18    0.0016440926
   C  19    0.0033691764
   C  20    0.0016440865


BOND ANGLES
   2    1    3  Nar  Car   C2    119.917
   2    1    8  Nar  Car  Car    119.939
   3    1    8   C2  Car  Car    120.145
   1    2    7  Car  Nar  Car    120.118
   1    3    4  Car   C2  Nam    119.917
   1    3    9  Car   C2   O2    120.145
   4    3    9  Nam   C2   O2    119.939
   3    4    6   C2  Nam  Car    126.185
   8    5   10  Car  Nar  Car    120.118
   4    6   11  Nam  Car  Car    120.447
   4    6   13  Nam  Car  Car    119.824
  11    6   13  Car  Car  Car    119.730
   2    7   14  Nar  Car  Car    119.917
   2    7   10  Nar  Car  Car    119.944
  10    7   14  Car  Car  Car    120.140
   1    8    5  Car  Car  Nar    119.939
   5   10   16  Nar  Car  Car    119.917
   5   10    7  Nar  Car  Car    119.944
   7   10   16  Car  Car  Car    120.140
   6   11   12  Car  Car   O3    119.688
   6   11   15  Car  Car  Car    120.438
  12   11   15   O3  Car  Car    119.874
   6   13   17  Car  Car  Car    119.670
   7   14   18  Car  Car  Car    119.917
  11   15   19  Car  Car  Car    120.273
  10   16   20  Car  Car  Car    119.917
  13   17   19  Car  Car  Car    120.276
  14   18   20  Car  Car  Car    119.944
  15   19   17  Car  Car  Car    119.613
  16   20   18  Car  Car  Car    119.944


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