
 CHEMBL112389

 33 35  0  0  0  0  0  0  0  0999 V2000
    0.8204    0.0009   -0.1355 C   0  0  0  0  0
    2.3257    0.0054   -0.1558 C   0  0  0  0  0
    2.9872    1.2013   -0.4456 C   0  0  0  0  0
    4.3713    1.2166   -0.4695 C   0  0  0  0  0
    5.1117    0.1165   -0.2202 N   0  0  0  0  0
    4.5013   -1.0514    0.0753 C   0  0  0  0  0
    3.0882   -1.1579    0.1132 C   0  0  0  0  0
    2.4990   -2.4060    0.4154 C   0  0  0  0  0
    3.2750   -3.5298    0.6780 C   0  0  0  0  0
    4.6575   -3.4244    0.6462 C   0  0  0  0  0
    5.2754   -2.1949    0.3509 C   0  0  0  0  0
    6.7502   -2.1316    0.3355 C   0  0  0  0  0
    7.5031   -1.6545    1.4264 C   0  0  0  0  0
    8.8994   -1.6003    1.3663 C   0  0  0  0  0
    9.5571   -2.0247    0.2159 C   0  0  0  0  0
    8.8371   -2.5049   -0.8743 C   0  0  0  0  0
    7.4424   -2.5570   -0.8142 C   0  0  0  0  0
   11.2752   -1.9612    0.1411 Cl  0  0  0  0  0
    6.7502   -1.1418    2.8993 Cl  0  0  0  0  0
    5.1095    2.4864   -0.7669 C   0  0  0  0  0
    0.4111    0.9903   -0.3663 H   0  0  0  0  0
    0.4537   -0.2808    0.8568 H   0  0  0  0  0
    0.4315   -0.6961   -0.8848 H   0  0  0  0  0
    2.4319    2.1118   -0.6497 H   0  0  0  0  0
    1.4176   -2.5159    0.4519 H   0  0  0  0  0
    2.8028   -4.4803    0.9115 H   0  0  0  0  0
    5.2638   -4.3021    0.8611 H   0  0  0  0  0
    9.4681   -1.2286    2.2141 H   0  0  0  0  0
    9.3501   -2.8331   -1.7743 H   0  0  0  0  0
    6.8880   -2.9198   -1.6782 H   0  0  0  0  0
    4.8051    2.8838   -1.7400 H   0  0  0  0  0
    6.1900    2.3120   -0.7940 H   0  0  0  0  0
    4.9035    3.2323    0.0072 H   0  0  0  0  0
  1  2  1  0  0  0
  1 21  1  0  0  0
  1 22  1  0  0  0
  1 23  1  0  0  0
  2  3  2  0  0  0
  2  7  1  0  0  0
  3  4  1  0  0  0
  3 24  1  0  0  0
  4  5  2  0  0  0
  4 20  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
  8  9  2  0  0  0
  8 25  1  0  0  0
  9 10  1  0  0  0
  9 26  1  0  0  0
 10 11  2  0  0  0
 10 27  1  0  0  0
 11 12  1  0  0  0
 12 13  2  0  0  0
 12 17  1  0  0  0
 13 14  1  0  0  0
 13 19  1  0  0  0
 14 15  2  0  0  0
 14 28  1  0  0  0
 15 16  1  0  0  0
 15 18  1  0  0  0
 16 17  2  0  0  0
 16 29  1  0  0  0
 17 30  1  0  0  0
 20 31  1  0  0  0
 20 32  1  0  0  0
 20 33  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL112389

>  <PubChem CID>
23000016

>  <Formula>
C17H13Cl2N

>  <Molecular Weight>
302.198000

>  <IUPAC Name>
8-(2,4-dichlorophenyl)-2,4-dimethylquinoline

>  <XlogP>
5.8

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
1

>  <Canonical SMILES>
CC1=CC(=NC2=C1C=CC=C2C3=C(C=C(C=C3)Cl)Cl)C

>  <Isomeric SMILES>
CC1=CC(=NC2=C1C=CC=C2C3=C(C=C(C=C3)Cl)Cl)C

>  <InChI Std. ID>
InChI=1S/C17H13Cl2N/c1-10-8-11(2)20-17-13(10)4-3-5-15(17)14-7-6-12(18)9-16(14)19/h3-9H,1-2H3

>  <InChI Key>
AXVLSPGCQJFELF-UHFFFAOYSA-N

