
 CHEMBL178592

 45 47  0  0  0  0  0  0  0  0999 V2000
    7.5595    1.7624    3.0249 C   0  0  0  0  0
    7.8197    2.5299    1.7372 C   0  0  0  0  0
    6.5527    2.8019    0.9719 C   0  0  0  0  0
    5.9948    1.9182    0.0546 C   0  0  0  0  0
    4.8493    2.1394   -0.6306 N   0  0  0  0  0
    4.1986    3.2915   -0.4156 C   0  0  0  0  0
    3.0175    3.5552   -1.0976 C   0  0  0  0  0
    2.3069    4.7480   -0.9075 C   0  0  0  0  0
    2.7874    5.7162   -0.0248 C   0  0  0  0  0
    3.9686    5.4647    0.6788 C   0  0  0  0  0
    4.6710    4.2614    0.4898 C   0  0  0  0  0
    5.8554    3.9935    1.1888 C   0  0  0  0  0
    2.0220    6.9902    0.1345 C   0  0  0  0  0
    0.8158    6.9911   -0.0947 O   0  0  0  0  0
    2.7762    8.2507    0.5667 C   0  0  0  0  0
    2.2731    9.4930   -0.1873 C   0  0  0  0  0
    1.0321   10.1479    0.4256 C   0  0  0  0  0
    1.1926   10.3890    1.9278 C   0  0  0  0  0
    1.4738    9.0543    2.6192 C   0  0  0  0  0
    2.7532    8.4083    2.0927 C   0  0  0  0  0
    2.2647   11.3252    2.0972 O   0  0  0  0  0
    2.4326   11.7831    3.4311 C   0  0  0  0  0
    6.7115    0.4017   -0.3296 Cl  0  0  0  0  0
    8.4989    1.5983    3.5624 H   0  0  0  0  0
    7.1081    0.7851    2.8257 H   0  0  0  0  0
    6.8838    2.3152    3.6866 H   0  0  0  0  0
    8.5394    1.9893    1.1126 H   0  0  0  0  0
    8.3088    3.4820    1.9807 H   0  0  0  0  0
    2.6381    2.8142   -1.7983 H   0  0  0  0  0
    1.3855    4.9160   -1.4629 H   0  0  0  0  0
    4.3597    6.1883    1.3872 H   0  0  0  0  0
    6.2399    4.7172    1.9053 H   0  0  0  0  0
    3.8184    8.1166    0.2477 H   0  0  0  0  0
    2.0684    9.2472   -1.2365 H   0  0  0  0  0
    3.0820   10.2357   -0.2008 H   0  0  0  0  0
    0.8590   11.1029   -0.0854 H   0  0  0  0  0
    0.1509    9.5221    0.2437 H   0  0  0  0  0
    0.2679   10.8313    2.3175 H   0  0  0  0  0
    1.5705    9.1927    3.7014 H   0  0  0  0  0
    0.6265    8.3745    2.4670 H   0  0  0  0  0
    3.6119    9.0225    2.3921 H   0  0  0  0  0
    2.8785    7.4415    2.5925 H   0  0  0  0  0
    3.1158   12.6368    3.4133 H   0  0  0  0  0
    2.8874   11.0041    4.0491 H   0  0  0  0  0
    1.4809   12.1054    3.8627 H   0  0  0  0  0
  1  2  1  0  0  0
  1 24  1  0  0  0
  1 25  1  0  0  0
  1 26  1  0  0  0
  2  3  1  0  0  0
  2 27  1  0  0  0
  2 28  1  0  0  0
  3  4  2  0  0  0
  3 12  1  0  0  0
  4  5  1  0  0  0
  4 23  1  0  0  0
  5  6  2  0  0  0
  6  7  1  0  0  0
  6 11  1  0  0  0
  7  8  2  0  0  0
  7 29  1  0  0  0
  8  9  1  0  0  0
  8 30  1  0  0  0
  9 10  2  0  0  0
  9 13  1  0  0  0
 10 11  1  0  0  0
 10 31  1  0  0  0
 11 12  2  0  0  0
 12 32  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL178592

>  <PubChem CID>
11256015

>  <Formula>
C19H22ClNO2

>  <Molecular Weight>
331.840000

>  <IUPAC Name>
(2-chloro-3-ethylquinolin-6-yl)-(4-methoxycyclohexyl)methanone

>  <XlogP>
4.7

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CCC1=C(N=C2C=CC(=CC2=C1)C(=O)C3CCC(CC3)OC)Cl

>  <Isomeric SMILES>
CCC1=C(N=C2C=CC(=CC2=C1)C(=O)C3CCC(CC3)OC)Cl

>  <InChI Std. ID>
InChI=1S/C19H22ClNO2/c1-3-12-10-15-11-14(6-9-17(15)21-19(12)20)18(22)13-4-7-16(23-2)8-5-13/h6,9-11,13,16H,3-5,7-8H2,1-2H3

>  <InChI Key>
BSFXHAPAXMFAFH-UHFFFAOYSA-N

