
 CHEMBL118220

 50 53  0  0  0  0  0  0  0  0999 V2000
    1.2291    0.0689    0.1806 C   0  0  0  0  0
    2.6802    0.0879   -0.2036 C   0  0  0  0  0
    3.4319    1.2608   -0.0646 C   0  0  0  0  0
    4.7852    1.2764   -0.3994 C   0  0  0  0  0
    5.4050    0.1115   -0.8516 C   0  0  0  0  0
    4.6784   -1.0816   -0.9670 C   0  0  0  0  0
    3.3104   -1.0834   -0.6545 C   0  0  0  0  0
    5.4093   -2.3006   -1.4359 C   0  0  0  0  0
    6.4074   -2.1435   -2.1309 O   0  0  0  0  0
    4.8914   -3.5148   -1.0172 N   0  0  0  0  0
    5.4175   -4.8008   -1.2684 C   0  0  0  0  0
    6.6489   -5.0370   -1.8831 C   0  0  0  0  0
    7.1278   -6.3448   -2.0509 C   0  0  0  0  0
    6.3476   -7.4383   -1.6699 C   0  0  0  0  0
    5.1193   -7.2029   -1.0381 C   0  0  0  0  0
    4.6632   -5.8961   -0.8320 C   0  0  0  0  0
    6.8221   -8.8502   -1.7532 C   0  0  0  0  0
    6.7087   -9.4587   -0.6882 O   0  0  0  0  0
    7.3263   -9.3800   -2.9678 N   0  0  0  0  0
    7.4290   -8.5407   -4.1720 C   0  0  0  0  0
    7.5960   -9.2943   -5.4791 C   0  0  0  0  0
    8.7972  -10.2060   -5.3604 C   0  0  0  0  0
    8.5801  -11.1385   -4.2025 C   0  0  0  0  0
    9.1451  -12.4265   -4.2807 C   0  0  0  0  0
    8.9552  -13.3474   -3.2586 C   0  0  0  0  0
    8.2014  -12.9858   -2.1530 C   0  0  0  0  0
    7.6611  -11.6966   -2.0572 C   0  0  0  0  0
    7.8527  -10.7326   -3.0598 C   0  0  0  0  0
    0.7862    1.0669    0.0976 H   0  0  0  0  0
    1.1218   -0.2779    1.2132 H   0  0  0  0  0
    0.6615   -0.5953   -0.4791 H   0  0  0  0  0
    2.9649    2.1750    0.2968 H   0  0  0  0  0
    5.3598    2.1947   -0.3056 H   0  0  0  0  0
    6.4627    0.1348   -1.1086 H   0  0  0  0  0
    2.7086   -1.9783   -0.7811 H   0  0  0  0  0
    4.0690   -3.4952   -0.4316 H   0  0  0  0  0
    7.2885   -4.2205   -2.2048 H   0  0  0  0  0
    8.1293   -6.4796   -2.4461 H   0  0  0  0  0
    4.5277   -8.0410   -0.6731 H   0  0  0  0  0
    3.7143   -5.7545   -0.3211 H   0  0  0  0  0
    6.5347   -7.9137   -4.2503 H   0  0  0  0  0
    8.2971   -7.8864   -4.0374 H   0  0  0  0  0
    7.7395   -8.5878   -6.3042 H   0  0  0  0  0
    6.6915   -9.8758   -5.6977 H   0  0  0  0  0
    9.7172   -9.6324   -5.1952 H   0  0  0  0  0
    8.9147  -10.7666   -6.2950 H   0  0  0  0  0
    9.7284  -12.7182   -5.1514 H   0  0  0  0  0
    9.3827  -14.3435   -3.3287 H   0  0  0  0  0
    8.0260  -13.7009   -1.3532 H   0  0  0  0  0
    7.0665  -11.5003   -1.1725 H   0  0  0  0  0
  1  2  1  0  0  0
  1 29  1  0  0  0
  1 30  1  0  0  0
  1 31  1  0  0  0
  2  3  2  0  0  0
  2  7  1  0  0  0
  3  4  1  0  0  0
  3 32  1  0  0  0
  4  5  2  0  0  0
  4 33  1  0  0  0
  5  6  1  0  0  0
  5 34  1  0  0  0
  6  7  2  0  0  0
  6  8  1  0  0  0
  7 35  1  0  0  0
  8 10  1  0  0  0
  8  9  2  0  0  0
 10 11  1  0  0  0
 10 36  1  0  0  0
 11 12  2  0  0  0
 11 16  1  0  0  0
 12 13  1  0  0  0
 12 37  1  0  0  0
 13 14  2  0  0  0
 13 38  1  0  0  0
 14 15  1  0  0  0
 14 17  1  0  0  0
 15 16  2  0  0  0
 15 39  1  0  0  0
 16 40  1  0  0  0
 17 19  1  0  0  0
 17 18  2  0  0  0
 19 20  1  0  0  0
 19 28  1  0  0  0
 20 21  1  0  0  0
 20 41  1  0  0  0
 20 42  1  0  0  0
 21 22  1  0  0  0
 21 43  1  0  0  0
 21 44  1  0  0  0
 22 23  1  0  0  0
 22 45  1  0  0  0
 22 46  1  0  0  0
 23 24  2  0  0  0
 23 28  1  0  0  0
 24 25  1  0  0  0
 24 47  1  0  0  0
 25 26  2  0  0  0
 25 48  1  0  0  0
 26 27  1  0  0  0
 26 49  1  0  0  0
 27 28  2  0  0  0
 27 50  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL118220

>  <PubChem CID>
10619160

>  <Formula>
C24H22N2O2

>  <Molecular Weight>
370.452000

>  <IUPAC Name>
N-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]-3-methylbenzamide

>  <XlogP>
4.5

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CC1=CC=CC(=C1)C(=O)NC2=CC=C(C=C2)C(=O)N3CCCC4=CC=CC=C43

>  <Isomeric SMILES>
CC1=CC=CC(=C1)C(=O)NC2=CC=C(C=C2)C(=O)N3CCCC4=CC=CC=C43

>  <InChI Std. ID>
InChI=1S/C24H22N2O2/c1-17-6-4-8-20(16-17)23(27)25-21-13-11-19(12-14-21)24(28)26-15-5-9-18-7-2-3-10-22(18)26/h2-4,6-8,10-14,16H,5,9,15H2,1H3,(H,25,27)

>  <InChI Key>
GPOYOJSIKVCUJH-UHFFFAOYSA-N

