
 CHEMBL293863

 56 59  0  0  0  0  0  0  0  0999 V2000
    7.8194    7.7668   -6.2271 C   0  0  0  0  0
    7.6620    6.5265   -5.3634 C   0  0  0  0  0
    9.0007    5.8205   -5.1388 C   0  0  0  0  0
    8.8276    4.5834   -4.2908 C   0  0  0  0  0
    8.5254    3.3486   -4.8873 C   0  0  0  0  0
    8.2894    2.2188   -4.1009 C   0  0  0  0  0
    8.3728    2.3207   -2.7118 C   0  0  0  0  0
    8.6680    3.5454   -2.1047 C   0  0  0  0  0
    8.8973    4.6724   -2.8927 C   0  0  0  0  0
    8.0558    1.1728   -1.8405 C   0  0  0  0  0
    7.0309    1.2594   -1.1644 O   0  0  0  0  0
    8.9513    0.0878   -1.7599 N   0  0  0  0  0
    8.8253   -0.6604   -0.5118 C   0  0  0  0  0
    9.6827   -1.9131   -0.3774 C   0  0  0  0  0
   11.0492   -1.8989   -1.0770 C   0  0  0  0  0
   10.9702   -1.2001   -2.4351 C   0  0  0  0  0
   10.2737    0.1499   -2.3802 C   0  0  0  0  0
   12.2206   -1.4702   -0.2622 N   0  0  0  0  0
   12.2058   -0.2513    0.4250 C   0  0  0  0  0
   11.2405    0.5057    0.4842 O   0  0  0  0  0
   13.5072    0.2000    1.0382 C   0  0  0  0  0
   14.1628   -0.9470    1.7608 C   0  0  0  0  0
   14.3695   -2.0618    0.7812 C   0  0  0  0  0
   15.4995   -2.8842    0.9042 C   0  0  0  0  0
   15.7025   -3.9347    0.0179 C   0  0  0  0  0
   14.7743   -4.1700   -0.9897 C   0  0  0  0  0
   13.6364   -3.3616   -1.1061 C   0  0  0  0  0
   13.4004   -2.3045   -0.2138 C   0  0  0  0  0
    6.8482    8.2501   -6.3748 H   0  0  0  0  0
    8.2241    7.5108   -7.2114 H   0  0  0  0  0
    8.4907    8.4913   -5.7553 H   0  0  0  0  0
    6.9512    5.8432   -5.8447 H   0  0  0  0  0
    7.2206    6.8137   -4.4010 H   0  0  0  0  0
    9.7117    6.5011   -4.6534 H   0  0  0  0  0
    9.4524    5.5443   -6.0997 H   0  0  0  0  0
    8.4480    3.2691   -5.9696 H   0  0  0  0  0
    8.0243    1.2737   -4.5659 H   0  0  0  0  0
    8.6969    3.6217   -1.0196 H   0  0  0  0  0
    9.1064    5.6250   -2.4107 H   0  0  0  0  0
    7.7732   -0.9542   -0.3965 H   0  0  0  0  0
    9.0134    0.0286    0.3178 H   0  0  0  0  0
    9.7849   -2.1888    0.6787 H   0  0  0  0  0
    9.1022   -2.7264   -0.8380 H   0  0  0  0  0
   11.2013   -2.9622   -1.2858 H   0  0  0  0  0
   11.9669   -1.0891   -2.8754 H   0  0  0  0  0
   10.3987   -1.8461   -3.1155 H   0  0  0  0  0
   10.8754    0.8994   -1.8592 H   0  0  0  0  0
   10.1696    0.5035   -3.4102 H   0  0  0  0  0
   13.3028    1.0131    1.7438 H   0  0  0  0  0
   14.1415    0.6005    0.2382 H   0  0  0  0  0
   13.5380   -1.3048    2.5870 H   0  0  0  0  0
   15.1192   -0.6088    2.1788 H   0  0  0  0  0
   16.2316   -2.6996    1.6882 H   0  0  0  0  0
   16.5818   -4.5661    0.1109 H   0  0  0  0  0
   14.9326   -4.9849   -1.6911 H   0  0  0  0  0
   12.9699   -3.5818   -1.9334 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  1  0  0  0
  2 32  1  0  0  0
  2 33  1  0  0  0
  3  4  1  0  0  0
  3 34  1  0  0  0
  3 35  1  0  0  0
  4  5  2  0  0  0
  4  9  1  0  0  0
  5  6  1  0  0  0
  5 36  1  0  0  0
  6  7  2  0  0  0
  6 37  1  0  0  0
  7  8  1  0  0  0
  7 10  1  0  0  0
  8  9  2  0  0  0
  8 38  1  0  0  0
  9 39  1  0  0  0
 10 12  1  0  0  0
 10 11  2  0  0  0
 12 17  1  0  0  0
 12 13  1  0  0  0
 13 14  1  0  0  0
 13 40  1  0  0  0
 13 41  1  0  0  0
 14 15  1  0  0  0
 14 42  1  0  0  0
 14 43  1  0  0  0
 15 16  1  0  0  0
 15 18  1  0  0  0
 15 44  1  0  0  0
 16 17  1  0  0  0
 16 45  1  0  0  0
 16 46  1  0  0  0
 17 47  1  0  0  0
 17 48  1  0  0  0
 18 19  1  0  0  0
 18 28  1  0  0  0
 19 21  1  0  0  0
 19 20  2  0  0  0
 21 22  1  0  0  0
 21 49  1  0  0  0
 21 50  1  0  0  0
 22 23  1  0  0  0
 22 51  1  0  0  0
 22 52  1  0  0  0
 23 24  2  0  0  0
 23 28  1  0  0  0
 24 25  1  0  0  0
 24 53  1  0  0  0
 25 26  2  0  0  0
 25 54  1  0  0  0
 26 27  1  0  0  0
 26 55  1  0  0  0
 27 28  2  0  0  0
 27 56  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL293863

>  <PubChem CID>
14969541

>  <Formula>
C24H28N2O2

>  <Molecular Weight>
376.500000

>  <IUPAC Name>
1-[1-(4-propylbenzoyl)piperidin-4-yl]-3,4-dihydroquinolin-2-one

>  <XlogP>
4.3

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CCCC1=CC=C(C=C1)C(=O)N2CCC(CC2)N3C(=O)CCC4=CC=CC=C43

>  <Isomeric SMILES>
CCCC1=CC=C(C=C1)C(=O)N2CCC(CC2)N3C(=O)CCC4=CC=CC=C43

>  <InChI Std. ID>
InChI=1S/C24H28N2O2/c1-2-5-18-8-10-20(11-9-18)24(28)25-16-14-21(15-17-25)26-22-7-4-3-6-19(22)12-13-23(26)27/h3-4,6-11,21H,2,5,12-17H2,1H3

>  <InChI Key>
FFPRLSSEARFAGO-UHFFFAOYSA-N

