
 CHEMBL64046

 53 56  0  0  0  0  0  0  0  0999 V2000
    1.8488    2.8419    3.0142 C   0  0  0  0  0
    3.2548    2.8497    2.4903 C   0  0  0  0  0
    4.1407    3.5868    2.8969 O   0  0  0  0  0
    3.3716    1.8474    1.5287 O   0  0  0  0  0
    4.5610    1.6019    0.8072 C   0  0  0  0  0
    4.7149    0.2907    0.3439 C   0  0  0  0  0
    5.8000   -0.0343   -0.4690 C   0  0  0  0  0
    6.7295    0.9536   -0.8105 C   0  0  0  0  0
    6.5666    2.2668   -0.3488 C   0  0  0  0  0
    5.4774    2.5945    0.4626 C   0  0  0  0  0
    7.7881    0.6611   -1.8000 C   0  0  0  0  0
    7.8149    1.3792   -2.8004 O   0  0  0  0  0
    8.6750   -0.4156   -1.5899 N   0  0  0  0  0
    9.0472   -0.8017   -0.2274 C   0  0  0  0  0
    9.7991   -2.1219   -0.1699 C   0  0  0  0  0
   11.0383   -2.1376   -1.0666 C   0  0  0  0  0
   10.6777   -1.6860   -2.4931 C   0  0  0  0  0
    9.7076   -0.5142   -2.6186 C   0  0  0  0  0
   12.2454   -1.5220   -0.4426 N   0  0  0  0  0
   12.5063   -0.1614   -0.5960 C   0  0  0  0  0
   11.7165    0.6663   -1.0428 O   0  0  0  0  0
   13.9021    0.2884   -0.2561 C   0  0  0  0  0
   14.2484   -0.1653    1.1329 C   0  0  0  0  0
   14.0655   -1.6510    1.2261 C   0  0  0  0  0
   14.8594   -2.3650    2.1406 C   0  0  0  0  0
   14.6893   -3.7302    2.3048 C   0  0  0  0  0
   13.7099   -4.3878    1.5683 C   0  0  0  0  0
   12.9049   -3.6797    0.6660 C   0  0  0  0  0
   13.0676   -2.3017    0.4653 C   0  0  0  0  0
    1.1379    2.7941    2.1842 H   0  0  0  0  0
    1.6603    3.7681    3.5652 H   0  0  0  0  0
    1.7109    1.9880    3.6824 H   0  0  0  0  0
    3.9737   -0.4643    0.5882 H   0  0  0  0  0
    5.8971   -1.0400   -0.8706 H   0  0  0  0  0
    7.2679    3.0401   -0.6549 H   0  0  0  0  0
    5.3482    3.6249    0.7820 H   0  0  0  0  0
    8.1485   -0.9021    0.3861 H   0  0  0  0  0
    9.6315    0.0110    0.2142 H   0  0  0  0  0
   10.0595   -2.3593    0.8653 H   0  0  0  0  0
    9.1209   -2.9157   -0.5119 H   0  0  0  0  0
   11.3018   -3.1866   -1.2297 H   0  0  0  0  0
   11.5804   -1.4941   -3.0860 H   0  0  0  0  0
   10.1842   -2.5411   -2.9790 H   0  0  0  0  0
   10.2404    0.4387   -2.6744 H   0  0  0  0  0
    9.1977   -0.5967   -3.5883 H   0  0  0  0  0
   13.9566    1.3810   -0.3201 H   0  0  0  0  0
   14.5847   -0.1241   -1.0079 H   0  0  0  0  0
   13.6007    0.3172    1.8760 H   0  0  0  0  0
   15.2857    0.1158    1.3545 H   0  0  0  0  0
   15.6140   -1.8474    2.7319 H   0  0  0  0  0
   15.3076   -4.2810    3.0094 H   0  0  0  0  0
   13.5651   -5.4576    1.6996 H   0  0  0  0  0
   12.1565   -4.2638    0.1435 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  4  1  0  0  0
  2  3  2  0  0  0
  4  5  1  0  0  0
  5  6  2  0  0  0
  5 10  1  0  0  0
  6  7  1  0  0  0
  6 33  1  0  0  0
  7  8  2  0  0  0
  7 34  1  0  0  0
  8  9  1  0  0  0
  8 11  1  0  0  0
  9 10  2  0  0  0
  9 35  1  0  0  0
 10 36  1  0  0  0
 11 13  1  0  0  0
 11 12  2  0  0  0
 13 18  1  0  0  0
 13 14  1  0  0  0
 14 15  1  0  0  0
 14 37  1  0  0  0
 14 38  1  0  0  0
 15 16  1  0  0  0
 15 39  1  0  0  0
 15 40  1  0  0  0
 16 17  1  0  0  0
 16 19  1  0  0  0
 16 41  1  0  0  0
 17 18  1  0  0  0
 17 42  1  0  0  0
 17 43  1  0  0  0
 18 44  1  0  0  0
 18 45  1  0  0  0
 19 20  1  0  0  0
 19 29  1  0  0  0
 20 22  1  0  0  0
 20 21  2  0  0  0
 22 23  1  0  0  0
 22 46  1  0  0  0
 22 47  1  0  0  0
 23 24  1  0  0  0
 23 48  1  0  0  0
 23 49  1  0  0  0
 24 25  2  0  0  0
 24 29  1  0  0  0
 25 26  1  0  0  0
 25 50  1  0  0  0
 26 27  2  0  0  0
 26 51  1  0  0  0
 27 28  1  0  0  0
 27 52  1  0  0  0
 28 29  2  0  0  0
 28 53  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL64046

>  <PubChem CID>
14969523

>  <Formula>
C23H24N2O4

>  <Molecular Weight>
392.455000

>  <IUPAC Name>
[4-[4-(2-oxo-3,4-dihydroquinolin-1-yl)piperidine-1-carbonyl]phenyl] acetate

>  <XlogP>
2.7

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC(=O)OC1=CC=C(C=C1)C(=O)N2CCC(CC2)N3C(=O)CCC4=CC=CC=C43

>  <Isomeric SMILES>
CC(=O)OC1=CC=C(C=C1)C(=O)N2CCC(CC2)N3C(=O)CCC4=CC=CC=C43

>  <InChI Std. ID>
InChI=1S/C23H24N2O4/c1-16(26)29-20-9-6-18(7-10-20)23(28)24-14-12-19(13-15-24)25-21-5-3-2-4-17(21)8-11-22(25)27/h2-7,9-10,19H,8,11-15H2,1H3

>  <InChI Key>
BTPYOUZRBQENFS-UHFFFAOYSA-N

