
 CHEMBL64695

 60 63  0  0  0  0  0  0  0  0999 V2000
    6.8742   -3.4996    5.5153 C   0  0  0  0  0
    7.1405   -2.0302    5.2299 C   0  0  0  0  0
    6.3508   -1.4837    4.0422 C   0  0  0  0  0
    6.6693   -2.1803    2.7227 C   0  0  0  0  0
    6.0113   -1.4823    1.6572 O   0  0  0  0  0
    6.8701   -0.9357    0.7446 C   0  0  0  0  0
    7.9234   -0.0898    1.0981 C   0  0  0  0  0
    8.7648    0.4298    0.1091 C   0  0  0  0  0
    8.5763    0.0670   -1.2279 C   0  0  0  0  0
    7.4632   -0.7090   -1.5810 C   0  0  0  0  0
    6.6065   -1.2010   -0.5964 C   0  0  0  0  0
    9.4618    0.5346   -2.3228 C   0  0  0  0  0
    8.9116    0.9003   -3.3635 O   0  0  0  0  0
   10.8504    0.5067   -2.1965 N   0  0  0  0  0
   11.6405   -0.0841   -1.1174 C   0  0  0  0  0
   12.6169    0.9426   -0.5428 C   0  0  0  0  0
   13.4544    1.6415   -1.6474 C   0  0  0  0  0
   13.1033    1.1452   -3.0594 C   0  0  0  0  0
   11.6046    1.0685   -3.3094 C   0  0  0  0  0
   13.5086    3.1274   -1.5682 N   0  0  0  0  0
   12.3388    3.8726   -1.3592 C   0  0  0  0  0
   11.2224    3.3820   -1.1973 O   0  0  0  0  0
   12.4703    5.3776   -1.4236 C   0  0  0  0  0
   13.7443    5.8278   -0.7501 C   0  0  0  0  0
   14.8945    5.1457   -1.4271 C   0  0  0  0  0
   16.1032    5.8304   -1.6217 C   0  0  0  0  0
   17.1765    5.1950   -2.2373 C   0  0  0  0  0
   17.0502    3.8729   -2.6473 C   0  0  0  0  0
   15.8547    3.1792   -2.4306 C   0  0  0  0  0
   14.7588    3.8009   -1.8143 C   0  0  0  0  0
    7.3745   -3.7981    6.4421 H   0  0  0  0  0
    7.2567   -4.1374    4.7126 H   0  0  0  0  0
    5.8029   -3.6911    5.6305 H   0  0  0  0  0
    8.2136   -1.8827    5.0602 H   0  0  0  0  0
    6.8778   -1.4457    6.1194 H   0  0  0  0  0
    6.5544   -0.4104    3.9466 H   0  0  0  0  0
    5.2740   -1.5597    4.2380 H   0  0  0  0  0
    6.2593   -3.1968    2.7304 H   0  0  0  0  0
    7.7519   -2.2792    2.5697 H   0  0  0  0  0
    8.0902    0.1854    2.1347 H   0  0  0  0  0
    9.5579    1.1197    0.3856 H   0  0  0  0  0
    7.2614   -0.9255   -2.6285 H   0  0  0  0  0
    5.7452   -1.8011   -0.8761 H   0  0  0  0  0
   12.1909   -0.9312   -1.5444 H   0  0  0  0  0
   11.0235   -0.5118   -0.3280 H   0  0  0  0  0
   12.0808    1.6565    0.0896 H   0  0  0  0  0
   13.2967    0.4240    0.1460 H   0  0  0  0  0
   14.4727    1.2932   -1.4355 H   0  0  0  0  0
   13.5756    1.7570   -3.8350 H   0  0  0  0  0
   13.5228    0.1358   -3.1749 H   0  0  0  0  0
   11.2034    2.0628   -3.5364 H   0  0  0  0  0
   11.4157    0.4416   -4.1903 H   0  0  0  0  0
   11.6108    5.8277   -0.9142 H   0  0  0  0  0
   12.4366    5.6812   -2.4770 H   0  0  0  0  0
   13.7463    5.5589    0.3133 H   0  0  0  0  0
   13.8325    6.9174   -0.8240 H   0  0  0  0  0
   16.2092    6.8639   -1.3000 H   0  0  0  0  0
   18.1077    5.7313   -2.4008 H   0  0  0  0  0
   17.8817    3.3771   -3.1426 H   0  0  0  0  0
   15.8072    2.1587   -2.7954 H   0  0  0  0  0
  1  2  1  0  0  0
  1 31  1  0  0  0
  1 32  1  0  0  0
  1 33  1  0  0  0
  2  3  1  0  0  0
  2 34  1  0  0  0
  2 35  1  0  0  0
  3  4  1  0  0  0
  3 36  1  0  0  0
  3 37  1  0  0  0
  4  5  1  0  0  0
  4 38  1  0  0  0
  4 39  1  0  0  0
  5  6  1  0  0  0
  6  7  2  0  0  0
  6 11  1  0  0  0
  7  8  1  0  0  0
  7 40  1  0  0  0
  8  9  2  0  0  0
  8 41  1  0  0  0
  9 10  1  0  0  0
  9 12  1  0  0  0
 10 11  2  0  0  0
 10 42  1  0  0  0
 11 43  1  0  0  0
 12 14  1  0  0  0
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 27 28  2  0  0  0
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 29 30  2  0  0  0
 29 60  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL64695

>  <PubChem CID>
14969538

>  <Formula>
C25H30N2O3

>  <Molecular Weight>
406.526000

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

>  <XlogP>
4.2

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CCCCOC1=CC=C(C=C1)C(=O)N2CCC(CC2)N3C(=O)CCC4=CC=CC=C43

>  <Isomeric SMILES>
CCCCOC1=CC=C(C=C1)C(=O)N2CCC(CC2)N3C(=O)CCC4=CC=CC=C43

>  <InChI Std. ID>
InChI=1S/C25H30N2O3/c1-2-3-18-30-22-11-8-20(9-12-22)25(29)26-16-14-21(15-17-26)27-23-7-5-4-6-19(23)10-13-24(27)28/h4-9,11-12,21H,2-3,10,13-18H2,1H3

>  <InChI Key>
DCFPOFBRPADJDQ-UHFFFAOYSA-N

