
 CHEMBL50905

 51 54  0  0  0  0  0  0  0  0999 V2000
    1.0462   -1.4177   -3.9815 C   0  0  0  0  0
    2.4383   -1.2956   -3.7153 O   0  0  0  0  0
    2.8397   -0.1952   -3.0099 C   0  0  0  0  0
    4.2078   -0.1424   -2.7286 C   0  0  0  0  0
    4.7836    0.8987   -2.0119 C   0  0  0  0  0
    3.9605    1.9396   -1.5427 C   0  0  0  0  0
    2.5768    1.8953   -1.8486 C   0  0  0  0  0
    2.0226    0.8367   -2.5718 C   0  0  0  0  0
    4.6046    2.9595   -0.8044 C   0  0  0  0  0
    5.9780    2.8951   -0.5591 C   0  0  0  0  0
    6.7107    1.8459   -1.0865 C   0  0  0  0  0
    6.1133    0.8636   -1.8012 N   0  0  0  0  0
    8.2109    1.7157   -0.9025 C   0  0  0  0  0
    8.8886    2.8508   -0.1636 C   0  0  0  0  0
    8.9996    2.8170    1.2348 C   0  0  0  0  0
    9.5271    3.9069    1.9276 C   0  0  0  0  0
    9.9509    5.0376    1.2317 C   0  0  0  0  0
    9.8552    5.0781   -0.1583 C   0  0  0  0  0
    9.3271    3.9903   -0.8550 C   0  0  0  0  0
    3.8644    4.1177   -0.2303 C   0  0  0  0  0
    2.7680    3.9733    0.2973 O   0  0  0  0  0
    4.4976    5.3362   -0.3269 N   0  0  0  0  0
    3.9250    6.5329    0.2464 C   0  0  0  0  0
    4.6454    7.7589   -0.2507 C   0  0  0  0  0
    5.3016    8.6204    0.6385 C   0  0  0  0  0
    5.9744    9.7480    0.1629 C   0  0  0  0  0
    6.0004   10.0234   -1.2034 C   0  0  0  0  0
    5.3487    9.1762   -2.0968 C   0  0  0  0  0
    4.6705    8.0531   -1.6232 C   0  0  0  0  0
    0.6960   -0.6023   -4.6228 H   0  0  0  0  0
    0.4676   -1.4674   -3.0530 H   0  0  0  0  0
    0.8898   -2.3567   -4.5212 H   0  0  0  0  0
    4.8486   -0.9490   -3.0792 H   0  0  0  0  0
    1.9082    2.6873   -1.5158 H   0  0  0  0  0
    0.9555    0.8531   -2.7668 H   0  0  0  0  0
    6.4547    3.6530    0.0529 H   0  0  0  0  0
    8.6720    1.6160   -1.8940 H   0  0  0  0  0
    8.4141    0.7741   -0.3767 H   0  0  0  0  0
    8.6541    1.9490    1.7931 H   0  0  0  0  0
    9.5988    3.8773    3.0119 H   0  0  0  0  0
   10.3550    5.8889    1.7737 H   0  0  0  0  0
   10.1853    5.9617   -0.6990 H   0  0  0  0  0
    9.2435    4.0434   -1.9387 H   0  0  0  0  0
    5.4081    5.4144   -0.7602 H   0  0  0  0  0
    3.9999    6.4420    1.3364 H   0  0  0  0  0
    2.8603    6.5910   -0.0066 H   0  0  0  0  0
    5.2938    8.4209    1.7080 H   0  0  0  0  0
    6.4783   10.4136    0.8593 H   0  0  0  0  0
    6.5254   10.9008   -1.5718 H   0  0  0  0  0
    5.3656    9.3906   -3.1621 H   0  0  0  0  0
    4.1606    7.4008   -2.3297 H   0  0  0  0  0
  1  2  1  0  0  0
  1 30  1  0  0  0
  1 31  1  0  0  0
  1 32  1  0  0  0
  2  3  1  0  0  0
  3  8  1  0  0  0
  3  4  2  0  0  0
  4  5  1  0  0  0
  4 33  1  0  0  0
  5  6  2  0  0  0
  5 12  1  0  0  0
  6  9  1  0  0  0
  6  7  1  0  0  0
  7  8  2  0  0  0
  7 34  1  0  0  0
  8 35  1  0  0  0
  9 10  2  0  0  0
  9 20  1  0  0  0
 10 11  1  0  0  0
 10 36  1  0  0  0
 11 12  2  0  0  0
 11 13  1  0  0  0
 13 14  1  0  0  0
 13 37  1  0  0  0
 13 38  1  0  0  0
 14 15  2  0  0  0
 14 19  1  0  0  0
 15 16  1  0  0  0
 15 39  1  0  0  0
 16 17  2  0  0  0
 16 40  1  0  0  0
 17 18  1  0  0  0
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 18 19  2  0  0  0
 18 42  1  0  0  0
 19 43  1  0  0  0
 20 22  1  0  0  0
 20 21  2  0  0  0
 22 23  1  0  0  0
 22 44  1  0  0  0
 23 24  1  0  0  0
 23 45  1  0  0  0
 23 46  1  0  0  0
 24 25  2  0  0  0
 24 29  1  0  0  0
 25 26  1  0  0  0
 25 47  1  0  0  0
 26 27  2  0  0  0
 26 48  1  0  0  0
 27 28  1  0  0  0
 27 49  1  0  0  0
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 28 50  1  0  0  0
 29 51  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL50905

>  <PubChem CID>
10596077

>  <Formula>
C25H22N2O2

>  <Molecular Weight>
382.463000

>  <IUPAC Name>
N,2-dibenzyl-7-methoxyquinoline-4-carboxamide

>  <XlogP>
4.9

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
COC1=CC2=C(C=C1)C(=CC(=N2)CC3=CC=CC=C3)C(=O)NCC4=CC=CC=C4

>  <Isomeric SMILES>
COC1=CC2=C(C=C1)C(=CC(=N2)CC3=CC=CC=C3)C(=O)NCC4=CC=CC=C4

>  <InChI Std. ID>
InChI=1S/C25H22N2O2/c1-29-21-12-13-22-23(25(28)26-17-19-10-6-3-7-11-19)15-20(27-24(22)16-21)14-18-8-4-2-5-9-18/h2-13,15-16H,14,17H2,1H3,(H,26,28)

>  <InChI Key>
BXEMBYKHUGOSBZ-UHFFFAOYSA-N

