
 CHEMBL117566

 53 56  0  0  0  0  0  0  0  0999 V2000
    1.1274    1.1411   -0.0696 C   0  0  0  0  0
    2.4068    0.5324   -0.5634 C   0  0  0  0  0
    2.5697    0.2370   -1.9224 C   0  0  0  0  0
    3.7737   -0.2965   -2.4200 C   0  0  0  0  0
    4.8367   -0.5348   -1.5228 C   0  0  0  0  0
    4.6644   -0.2499   -0.1579 C   0  0  0  0  0
    3.4665    0.2930    0.3135 C   0  0  0  0  0
    6.1461   -1.0981   -1.9999 C   0  0  0  0  0
    6.1454   -1.9406   -2.8888 O   0  0  0  0  0
    7.2688   -0.5794   -1.3708 N   0  0  0  0  0
    8.6210   -0.8675   -1.6514 C   0  0  0  0  0
    9.0481   -1.7253   -2.6650 C   0  0  0  0  0
   10.4156   -1.9165   -2.9131 C   0  0  0  0  0
   11.3695   -1.2087   -2.1755 C   0  0  0  0  0
   10.9490   -0.4017   -1.1145 C   0  0  0  0  0
    9.5857   -0.2301   -0.8579 C   0  0  0  0  0
   12.8311   -1.3592   -2.4098 C   0  0  0  0  0
   13.4761   -1.6424   -1.3996 O   0  0  0  0  0
   13.3587   -1.1958   -3.7015 N   0  0  0  0  0
   12.5802   -0.7673   -4.8756 C   0  0  0  0  0
   12.6673   -1.8338   -5.9510 C   0  0  0  0  0
   14.1101   -1.9463   -6.4263 C   0  0  0  0  0
   15.1238   -1.7730   -5.3183 C   0  0  0  0  0
   16.4793   -1.9649   -5.6374 C   0  0  0  0  0
   17.4660   -1.8091   -4.6685 C   0  0  0  0  0
   17.1048   -1.4653   -3.3706 C   0  0  0  0  0
   15.7600   -1.2805   -3.0388 C   0  0  0  0  0
   14.7500   -1.4252   -3.9997 C   0  0  0  0  0
    3.8643   -0.6084   -3.8899 C   0  0  0  0  0
    0.2692    0.7436   -0.6215 H   0  0  0  0  0
    1.1580    2.2276   -0.1953 H   0  0  0  0  0
    0.9661    0.9138    0.9888 H   0  0  0  0  0
    1.7423    0.4253   -2.6074 H   0  0  0  0  0
    5.4459   -0.4709    0.5646 H   0  0  0  0  0
    3.3617    0.5144    1.3728 H   0  0  0  0  0
    7.1135    0.1326   -0.6702 H   0  0  0  0  0
    8.3428   -2.2626   -3.2928 H   0  0  0  0  0
   10.7185   -2.6139   -3.6891 H   0  0  0  0  0
   11.6851    0.0885   -0.4818 H   0  0  0  0  0
    9.2928    0.4061   -0.0274 H   0  0  0  0  0
   11.5422   -0.5416   -4.6334 H   0  0  0  0  0
   13.0059    0.1822   -5.2296 H   0  0  0  0  0
   12.0133   -1.5950   -6.7955 H   0  0  0  0  0
   12.3360   -2.7991   -5.5455 H   0  0  0  0  0
   14.2970   -1.1739   -7.1807 H   0  0  0  0  0
   14.2511   -2.9225   -6.9081 H   0  0  0  0  0
   16.7706   -2.2362   -6.6503 H   0  0  0  0  0
   18.5128   -1.9531   -4.9248 H   0  0  0  0  0
   17.8710   -1.3292   -2.6105 H   0  0  0  0  0
   15.5343   -0.9775   -2.0223 H   0  0  0  0  0
    3.0091   -0.1986   -4.4372 H   0  0  0  0  0
    3.8659   -1.6903   -4.0483 H   0  0  0  0  0
    4.7638   -0.1626   -4.3266 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  2  0  0  0
  2  7  1  0  0  0
  3  4  1  0  0  0
  3 33  1  0  0  0
  4  5  2  0  0  0
  4 29  1  0  0  0
  5  6  1  0  0  0
  5  8  1  0  0  0
  6  7  2  0  0  0
  6 34  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
 29 51  1  0  0  0
 29 52  1  0  0  0
 29 53  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL117566

>  <PubChem CID>
10667727

>  <Formula>
C25H24N2O2

>  <Molecular Weight>
384.479000

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

>  <XlogP>
4.9

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

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

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

>  <InChI Std. ID>
InChI=1S/C25H24N2O2/c1-17-9-14-22(18(2)16-17)24(28)26-21-12-10-20(11-13-21)25(29)27-15-5-7-19-6-3-4-8-23(19)27/h3-4,6,8-14,16H,5,7,15H2,1-2H3,(H,26,28)

>  <InChI Key>
BTQSMXQASOGCKJ-UHFFFAOYSA-N

