
 CHEMBL1096811

 39 41  0  0  0  0  0  0  0  0999 V2000
    6.4699   -4.1347   -1.4253 C   0  0  0  0  0
    5.7455   -2.9703   -0.8197 C   0  0  0  0  0
    6.3549   -1.7627   -0.8984 N   0  0  0  0  0
    5.7349   -0.6890   -0.3759 C   0  0  0  0  0
    4.4755   -0.7773    0.2438 C   0  0  0  0  0
    3.8527   -2.0297    0.2920 C   0  0  0  0  0
    4.4907   -3.1393   -0.2511 C   0  0  0  0  0
    3.8812    0.3671    0.7931 C   0  0  0  0  0
    4.5361    1.5994    0.7309 C   0  0  0  0  0
    5.7861    1.7257    0.1059 C   0  0  0  0  0
    6.3516    0.5563   -0.4415 C   0  0  0  0  0
    6.4865    3.0294    0.0340 C   0  0  0  0  0
    5.7837    4.2316   -0.1567 C   0  0  0  0  0
    6.4443    5.4724   -0.2034 C   0  0  0  0  0
    7.8369    5.5377   -0.0653 C   0  0  0  0  0
    8.5511    4.3511    0.0985 C   0  0  0  0  0
    7.8831    3.1200    0.1580 C   0  0  0  0  0
    8.4103    6.7795   -0.1350 O   0  0  0  0  0
    9.6898    6.9480    0.4768 C   0  0  0  0  0
   10.7762    6.5113   -0.3371 O   0  0  0  0  0
   10.9139    7.3074   -1.5065 C   0  0  0  0  0
    5.6613    6.6623   -0.3680 C   0  0  0  0  0
    4.9942    7.6075   -0.4878 N   0  0  0  0  0
    6.2274   -5.0650   -0.9014 H   0  0  0  0  0
    7.5525   -3.9869   -1.3560 H   0  0  0  0  0
    6.1948   -4.2367   -2.4792 H   0  0  0  0  0
    2.8745   -2.1474    0.7507 H   0  0  0  0  0
    4.0164   -4.1145   -0.2201 H   0  0  0  0  0
    2.9109    0.3062    1.2810 H   0  0  0  0  0
    4.0553    2.4591    1.1934 H   0  0  0  0  0
    7.3121    0.6028   -0.9513 H   0  0  0  0  0
    4.7010    4.2121   -0.2809 H   0  0  0  0  0
    9.6355    4.3440    0.1701 H   0  0  0  0  0
    8.4826    2.2227    0.3082 H   0  0  0  0  0
    9.7347    6.4246    1.4401 H   0  0  0  0  0
    9.8125    8.0139    0.7035 H   0  0  0  0  0
   11.7902    6.9553   -2.0578 H   0  0  0  0  0
   11.0696    8.3584   -1.2437 H   0  0  0  0  0
   10.0360    7.2043   -2.1510 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  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 27  1  0  0  0
  7 28  1  0  0  0
  8  9  2  0  0  0
  8 29  1  0  0  0
  9 10  1  0  0  0
  9 30  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL1096811

>  <PubChem CID>
46888004

>  <Formula>
C19H16N2O2

>  <Molecular Weight>
304.349000

>  <IUPAC Name>
2-(methoxymethoxy)-5-(2-methylquinolin-7-yl)benzonitrile

>  <XlogP>
3.9

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
4

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

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

>  <InChI Std. ID>
InChI=1S/C19H16N2O2/c1-13-3-4-14-5-6-16(10-18(14)21-13)15-7-8-19(23-12-22-2)17(9-15)11-20/h3-10H,12H2,1-2H3

>  <InChI Key>
HOOMEXBDURPSJH-UHFFFAOYSA-N

