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8-chloro-3,4-dihydro-5-hydroxy-4-phenylquinazolin-2(1H)-one
8-chloro-3,4-dihydro-5-hydroxy-4-phenylquinazolin-2(1H)-one
ID: BP-11749
Supplier:BroadPharm

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SMILES:c12c(NC(=O)NC1c1ccccc1)c(ccc2O)Cl	
FORMULA: C14H11ClN2O2
MASS: 274.7023
EXACT MASS: 274.0509053
INTERATOMIC DISTANCES

              C   1      C   2      C   3      C   4      N   5      N   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    0.6000     0.0000 
   C   3    0.6010     1.0398     0.0000 
   C   4    1.2021     1.0417     1.0399     0.0000 
   N   5    1.0398     0.6010     1.2000     0.6011     0.0000 
   N   6    1.0417     1.2021     0.6011     0.6000     1.0399     0.0000 
   C   7    0.5975     1.0378     1.0375     1.7996     1.5863     1.5870 
   C   8    1.0378     0.5975     1.5863     1.5870     1.0375     1.7996 
   O   9    1.7975     1.5861     1.5832     0.5953     1.0375     1.0342 
   C  10    1.0398     1.5878     0.6000     1.5879     1.8000     1.0399 
   C  11    1.0375     1.1985     1.5869     2.1640     1.7995     2.0792 
   C  12    1.1985     1.0375     1.7995     2.0792     1.5869     2.1640 
  Cl  13    1.5826     1.0342     2.0740     1.7976     1.1965     2.1602 
   O  14    1.0378     1.5865     1.1985     2.1630     2.0776     1.7996 
   C  15    1.5891     2.0797     1.0399     1.8000     2.1636     1.2000 
   C  16    1.2000     1.8000     1.0398     2.0797     2.1636     1.5891 
   C  17    1.8000     2.4000     1.5878     2.6163     2.7498     2.0797 
   C  18    2.0797     2.6163     1.5879     2.4000     2.7498     1.8000 
   C  19    2.1636     2.7498     1.8000     2.7498     3.0000     2.1636 

              C   7      C   8      O   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    1.2000     0.0000 
   O   9    2.3950     2.0750     0.0000 
   C  10    1.1985     2.0776     2.0740     0.0000 
   C  11    0.6010     1.0398     2.7461     1.7995     0.0000 
   C  12    1.0398     0.6010     2.6126     2.1629     0.6000     0.0000 
  Cl  13    1.7959     0.5959     2.1600     2.6109     1.5840     1.0363 
   O  14    0.6000     1.8000     2.7442     1.0375     1.0398     1.5878 
   C  15    1.7996     2.6151     2.1586     0.6011     2.4006     2.7501 
   C  16    1.0378     2.1626     2.6117     0.6010     1.5863     2.0776 
   C  17    1.5865     2.7490     3.1139     1.0398     2.0776     2.6147 
   C  18    2.1630     3.1175     2.7450     1.0399     2.7501     3.1754 
   C  19    2.0776     3.1743     3.1705     1.2000     2.6150     3.1174 

             Cl  13      O  14      C  15      C  16      C  17      C  18
              ------------------------------------------------------------------
  Cl  13    0.0000 
   O  14    2.3959     0.0000 
   C  15    3.1139     1.5870     0.0000 
   C  16    2.7450     0.5975     1.0417     0.0000 
   C  17    3.3362     1.0378     1.2021     0.6000     0.0000 
   C  18    3.6458     1.7996     0.6000     1.2021     1.0417     0.0000 
   C  19    3.7426     1.5863     1.0399     1.0398     0.6010     0.6011 

              C  19
              -----------
   C  19    0.0000 



ATOMIC CHARGES
   C   1    0.0567713433
   C   2    0.0864820411
   C   3    0.1456896895
   C   4    0.3440717235
   N   5   -0.1602527078
   N   6   -0.1794972572
   C   7    0.1949410363
   C   8    0.0729532449
   O   9   -0.2487964373
   C  10    0.0017589756
   C  11    0.0427149757
   C  12    0.0159715507
  Cl  13   -0.0808941283
   O  14   -0.2867956994
   C  15   -0.0022912136
   C  16   -0.0022912136
   C  17   -0.0002587527
   C  18   -0.0002587527
   C  19   -0.0000184179


BOND ANGLES
   2    1    3  Car  Car   C3    119.944
   2    1    7  Car  Car  Car    120.140
   3    1    7   C3  Car  Car    119.917
   1    2    5  Car  Car  Nam    119.944
   1    2    8  Car  Car  Car    120.140
   5    2    8  Nam  Car  Car    119.917
   1    3    6  Car   C3  Nam    120.118
   1    3   10  Car   C3  Car    119.944
   6    3   10  Nam   C3  Car    119.939
   6    4    9  Nam   C2   O2    119.803
   5    4    6  Nam   C2  Nam    119.939
   5    4    9  Nam   C2   O2    120.258
   2    5    4  Car  Nam   C2    120.118
   3    6    4   C3  Nam   C2    119.939
   1    7   11  Car  Car  Car    119.917
   1    7   14  Car  Car   O3    120.140
  11    7   14  Car  Car   O3    119.944
   2    8   12  Car  Car  Car    119.917
   2    8   13  Car  Car   Cl    120.140
  12    8   13  Car  Car   Cl    119.944
   3   10   15   C3  Car  Car    119.939
   3   10   16   C3  Car  Car    119.944
  15   10   16  Car  Car  Car    120.118
   7   11   12  Car  Car  Car    119.944
   8   12   11  Car  Car  Car    119.944
  10   15   18  Car  Car  Car    119.939
  10   16   17  Car  Car  Car    119.944
  16   17   19  Car  Car  Car    119.944
  15   18   19  Car  Car  Car    119.939
  17   19   18  Car  Car  Car    120.118


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


CHIRAL ATOMS
  18   19   17   16      0.026