
 CHEMBL305309

 38 40  0  0  0  0  0  0  0  0999 V2000
   -0.2160   -0.1054   -0.1749 C   0  0  0  0  0
    0.8830   -0.1632   -1.1419 N   0  0  0  0  0
    1.7481   -1.3122   -0.8440 C   0  0  0  0  0
    2.8847   -1.4508   -1.8577 C   0  0  0  0  0
    3.5917   -0.1419   -2.2713 C   0  0  0  0  0
    2.6877    1.0959   -2.2147 C   0  0  0  0  0
    1.6725    1.0724   -1.0802 C   0  0  0  0  0
    4.9260    0.0948   -1.6515 N   0  0  0  0  0
    5.0919   -0.0004   -0.2681 C   0  0  0  0  0
    4.1904   -0.2831    0.5205 O   0  0  0  0  0
    6.4479    0.3708    0.2850 C   0  0  0  0  0
    7.5506   -0.1564   -0.6004 C   0  0  0  0  0
    7.3414    0.3794   -1.9845 C   0  0  0  0  0
    8.4484    0.7097   -2.7813 C   0  0  0  0  0
    8.2635    1.1841   -4.0760 C   0  0  0  0  0
    6.9756    1.3248   -4.5784 C   0  0  0  0  0
    5.8706    0.9792   -3.7926 C   0  0  0  0  0
    6.0331    0.4884   -2.4881 C   0  0  0  0  0
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    0.1404    0.0161    0.8546 H   0  0  0  0  0
   -0.8209   -1.0176   -0.2259 H   0  0  0  0  0
    1.1535   -2.2341   -0.8913 H   0  0  0  0  0
    2.1322   -1.2618    0.1790 H   0  0  0  0  0
    3.6101   -2.1965   -1.5108 H   0  0  0  0  0
    2.4372   -1.8761   -2.7684 H   0  0  0  0  0
    3.7983   -0.3273   -3.3315 H   0  0  0  0  0
    3.2818    2.0158   -2.1582 H   0  0  0  0  0
    2.1315    1.1530   -3.1612 H   0  0  0  0  0
    2.1668    1.1936   -0.1091 H   0  0  0  0  0
    1.0126    1.9400   -1.2085 H   0  0  0  0  0
    6.5492   -0.0596    1.2877 H   0  0  0  0  0
    6.4894    1.4627    0.3798 H   0  0  0  0  0
    7.5392   -1.2523   -0.6366 H   0  0  0  0  0
    8.5202    0.1595   -0.1993 H   0  0  0  0  0
    9.4586    0.6001   -2.3940 H   0  0  0  0  0
    9.1214    1.4469   -4.6892 H   0  0  0  0  0
    6.8246    1.7071   -5.5852 H   0  0  0  0  0
    4.8901    1.1396   -4.2295 H   0  0  0  0  0
  1  2  1  0  0  0
  1 19  1  0  0  0
  1 20  1  0  0  0
  1 21  1  0  0  0
  2  7  1  0  0  0
  2  3  1  0  0  0
  3  4  1  0  0  0
  3 22  1  0  0  0
  3 23  1  0  0  0
  4  5  1  0  0  0
  4 24  1  0  0  0
  4 25  1  0  0  0
  5  6  1  0  0  0
  5  8  1  0  0  0
  5 26  1  0  0  0
  6  7  1  0  0  0
  6 27  1  0  0  0
  6 28  1  0  0  0
  7 29  1  0  0  0
  7 30  1  0  0  0
  8  9  1  0  0  0
  8 18  1  0  0  0
  9 11  1  0  0  0
  9 10  2  0  0  0
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 17 38  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL305309

>  <PubChem CID>
14969511

>  <Formula>
C15H20N2O

>  <Molecular Weight>
244.338000

>  <IUPAC Name>
1-(1-methylpiperidin-4-yl)-3,4-dihydroquinolin-2-one

>  <XlogP>
1.8

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CN1CCC(CC1)N2C(=O)CCC3=CC=CC=C32

>  <Isomeric SMILES>
CN1CCC(CC1)N2C(=O)CCC3=CC=CC=C32

>  <InChI Std. ID>
InChI=1S/C15H20N2O/c1-16-10-8-13(9-11-16)17-14-5-3-2-4-12(14)6-7-15(17)18/h2-5,13H,6-11H2,1H3

>  <InChI Key>
GHHVFWVJSZMLIP-UHFFFAOYSA-N

