
 CHEMBL1096197

 40 43  0  0  0  0  0  0  0  0999 V2000
    4.8897   -3.0739    1.9025 C   0  0  0  0  0
    4.7080   -1.8480    1.0595 C   0  0  0  0  0
    5.6502   -0.8803    1.1630 N   0  0  0  0  0
    5.5236    0.2295    0.4140 C   0  0  0  0  0
    4.4456    0.4216   -0.4674 C   0  0  0  0  0
    3.4713   -0.5804   -0.5431 C   0  0  0  0  0
    3.6015   -1.7287    0.2303 C   0  0  0  0  0
    4.3726    1.5872   -1.2417 C   0  0  0  0  0
    5.3713    2.5597   -1.1477 C   0  0  0  0  0
    6.4556    2.4059   -0.2688 C   0  0  0  0  0
    6.4906    1.2260    0.5024 C   0  0  0  0  0
    7.5198    3.4299   -0.1647 C   0  0  0  0  0
    7.2692    4.7893   -0.3346 C   0  0  0  0  0
    8.2059    5.7700   -0.2761 N   0  0  0  0  0
    9.4976    5.4244   -0.0185 C   0  0  0  0  0
    9.8485    4.0926    0.2072 C   0  0  0  0  0
    8.8543    3.1028    0.1145 C   0  0  0  0  0
   11.1755    3.6890    0.5662 C   0  0  0  0  0
   12.2398    3.3295    0.8455 N   0  0  0  0  0
   10.4293    6.5759    0.0063 C   0  0  0  0  0
   11.6946    6.5437   -0.6078 C   0  0  0  0  0
   12.5516    7.6495   -0.5681 C   0  0  0  0  0
   12.1527    8.8214    0.0669 C   0  0  0  0  0
   10.8964    8.8906    0.6598 C   0  0  0  0  0
   10.0465    7.7807    0.6273 C   0  0  0  0  0
    4.7770   -3.9763    1.2936 H   0  0  0  0  0
    4.1503   -3.0888    2.7082 H   0  0  0  0  0
    5.8887   -3.0932    2.3489 H   0  0  0  0  0
    2.6144   -0.4750   -1.2037 H   0  0  0  0  0
    2.8554   -2.5144    0.1769 H   0  0  0  0  0
    3.5459    1.7416   -1.9310 H   0  0  0  0  0
    5.2910    3.4344   -1.7909 H   0  0  0  0  0
    7.2964    1.0585    1.2147 H   0  0  0  0  0
    6.2649    5.1632   -0.5235 H   0  0  0  0  0
    9.1404    2.0617    0.2603 H   0  0  0  0  0
   12.0352    5.6599   -1.1434 H   0  0  0  0  0
   13.5290    7.5928   -1.0414 H   0  0  0  0  0
   12.8168    9.6811    0.0913 H   0  0  0  0  0
   10.5724    9.8080    1.1443 H   0  0  0  0  0
    9.0643    7.8621    1.0918 H   0  0  0  0  0
  1  2  1  0  0  0
  1 26  1  0  0  0
  1 27  1  0  0  0
  1 28  1  0  0  0
  2  7  1  0  0  0
  2  3  2  0  0  0
  3  4  1  0  0  0
  4  5  2  0  0  0
  4 11  1  0  0  0
  5  6  1  0  0  0
  5  8  1  0  0  0
  6  7  2  0  0  0
  6 29  1  0  0  0
  7 30  1  0  0  0
  8  9  2  0  0  0
  8 31  1  0  0  0
  9 10  1  0  0  0
  9 32  1  0  0  0
 10 11  2  0  0  0
 10 12  1  0  0  0
 11 33  1  0  0  0
 12 17  1  0  0  0
 12 13  2  0  0  0
 13 14  1  0  0  0
 13 34  1  0  0  0
 14 15  2  0  0  0
 15 16  1  0  0  0
 15 20  1  0  0  0
 16 17  2  0  0  0
 16 18  1  0  0  0
 17 35  1  0  0  0
 18 19  3  0  0  0
 20 21  2  0  0  0
 20 25  1  0  0  0
 21 22  1  0  0  0
 21 36  1  0  0  0
 22 23  2  0  0  0
 22 37  1  0  0  0
 23 24  1  0  0  0
 23 38  1  0  0  0
 24 25  2  0  0  0
 24 39  1  0  0  0
 25 40  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL1096197

>  <PubChem CID>
46888089

>  <Formula>
C22H15N3

>  <Molecular Weight>
321.383000

>  <IUPAC Name>
5-(2-methylquinolin-7-yl)-2-phenylpyridine-3-carbonitrile

>  <XlogP>
4.5

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC1=NC2=C(C=C1)C=CC(=C2)C3=CN=C(C(=C3)C#N)C4=CC=CC=C4

>  <Isomeric SMILES>
CC1=NC2=C(C=C1)C=CC(=C2)C3=CN=C(C(=C3)C#N)C4=CC=CC=C4

>  <InChI Std. ID>
InChI=1S/C22H15N3/c1-15-7-8-16-9-10-18(12-21(16)25-15)20-11-19(13-23)22(24-14-20)17-5-3-2-4-6-17/h2-12,14H,1H3

>  <InChI Key>
NENPIXNGFVWRLL-UHFFFAOYSA-N

