
 CHEMBL416505

 46 49  0  0  0  0  0  0  0  0999 V2000
   -0.3237    1.7242    0.1230 C   0  0  0  0  0
    0.6104    1.9554   -1.0769 C   0  0  0  0  0
    1.3127    0.7562   -1.5316 N   0  0  0  0  0
    1.9552   -0.0556   -0.5006 C   0  0  0  0  0
    1.3021    0.0261    0.8739 C   0  0  0  0  0
   -0.2017    0.3357    0.7855 C   0  0  0  0  0
   -0.9684   -0.8078    0.2011 N   0  0  0  0  0
   -1.5834   -0.7306   -1.0532 C   0  0  0  0  0
   -1.7872    0.3152   -1.6699 O   0  0  0  0  0
   -2.1467   -2.0107   -1.6271 C   0  0  0  0  0
   -1.2588   -3.1848   -1.2910 C   0  0  0  0  0
   -1.1493   -3.2529    0.2017 C   0  0  0  0  0
   -1.1526   -4.4907    0.8579 C   0  0  0  0  0
   -1.0373   -4.5456    2.2432 C   0  0  0  0  0
   -0.8995   -3.3679    2.9709 C   0  0  0  0  0
   -0.8613   -2.1330    2.3137 C   0  0  0  0  0
   -0.9857   -2.0569    0.9198 C   0  0  0  0  0
    1.8086    0.5641   -2.8310 C   0  0  0  0  0
    2.7113   -0.2415   -3.0633 O   0  0  0  0  0
    1.2866    1.3120   -4.0004 C   0  0  0  0  0
    2.1987    1.7166   -4.9777 C   0  0  0  0  0
    1.7098    2.3189   -6.1240 C   0  0  0  0  0
    0.3983    2.5410   -6.3514 N   0  0  0  0  0
   -0.4644    2.1122   -5.4051 C   0  0  0  0  0
   -0.0726    1.4868   -4.2342 C   0  0  0  0  0
   -0.0510    2.4780    0.8772 H   0  0  0  0  0
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    1.3922    2.6730   -0.7938 H   0  0  0  0  0
    0.0582    2.4384   -1.8823 H   0  0  0  0  0
    1.9622   -1.0985   -0.8423 H   0  0  0  0  0
    3.0044    0.2607   -0.4256 H   0  0  0  0  0
    1.5107   -0.8960    1.4266 H   0  0  0  0  0
    1.7893    0.8271    1.4475 H   0  0  0  0  0
   -0.5964    0.4761    1.7972 H   0  0  0  0  0
   -2.2083   -1.9058   -2.7159 H   0  0  0  0  0
   -3.1637   -2.1432   -1.2386 H   0  0  0  0  0
   -0.2564   -3.0611   -1.7192 H   0  0  0  0  0
   -1.6920   -4.1038   -1.7010 H   0  0  0  0  0
   -1.2528   -5.4147    0.2934 H   0  0  0  0  0
   -1.0586   -5.5045    2.7545 H   0  0  0  0  0
   -0.8265   -3.4069    4.0546 H   0  0  0  0  0
   -0.7757   -1.2445    2.9313 H   0  0  0  0  0
    3.2628    1.5396   -4.8610 H   0  0  0  0  0
    2.3782    2.6368   -6.9180 H   0  0  0  0  0
   -1.5140    2.2761   -5.6257 H   0  0  0  0  0
   -0.8242    1.1271   -3.5486 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  1  0  0  0
  1 26  1  0  0  0
  1 27  1  0  0  0
  2  3  1  0  0  0
  2 28  1  0  0  0
  2 29  1  0  0  0
  3  4  1  0  0  0
  3 18  1  0  0  0
  4  5  1  0  0  0
  4 30  1  0  0  0
  4 31  1  0  0  0
  5  6  1  0  0  0
  5 32  1  0  0  0
  5 33  1  0  0  0
  6  7  1  0  0  0
  6 34  1  0  0  0
  7  8  1  0  0  0
  7 17  1  0  0  0
  8 10  1  0  0  0
  8  9  2  0  0  0
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 10 36  1  0  0  0
 11 12  1  0  0  0
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 11 38  1  0  0  0
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 25 46  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL416505

>  <PubChem CID>
14969507

>  <Formula>
C20H21N3O2

>  <Molecular Weight>
335.407000

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

>  <XlogP>
1.9

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C1CN(CCC1N2C(=O)CCC3=CC=CC=C32)C(=O)C4=CC=NC=C4

>  <Isomeric SMILES>
C1CN(CCC1N2C(=O)CCC3=CC=CC=C32)C(=O)C4=CC=NC=C4

>  <InChI Std. ID>
InChI=1S/C20H21N3O2/c24-19-6-5-15-3-1-2-4-18(15)23(19)17-9-13-22(14-10-17)20(25)16-7-11-21-12-8-16/h1-4,7-8,11-12,17H,5-6,9-10,13-14H2

>  <InChI Key>
FCFIXKIPVHSFDC-UHFFFAOYSA-N

