
 CHEMBL3612611

 34 35  0  0  0  0  0  0  0  0999 V2000
    0.9786    1.2025   -2.1538 C   0  0  0  0  0
    2.4857    1.3531   -2.0456 C   0  0  0  0  0
    2.8949    2.1905   -0.8515 C   0  0  0  0  0
    2.1011    2.7013   -0.0682 O   0  0  0  0  0
    4.2534    2.3276   -0.7294 N   0  0  0  0  0
    4.8457    3.0897    0.3464 C   0  0  0  0  0
    6.3580    3.0744    0.2931 C   0  0  0  0  0
    6.9585    2.3630   -0.7021 N   0  0  0  0  0
    8.3037    2.3394   -0.7578 C   0  0  0  0  0
    9.1235    3.0202    0.1678 C   0  0  0  0  0
    8.4687    3.7443    1.1811 C   0  0  0  0  0
    7.0807    3.7736    1.2482 C   0  0  0  0  0
   10.5371    2.9554    0.0500 C   0  0  0  0  0
   11.1128    2.2117   -0.9821 C   0  0  0  0  0
   10.2998    1.5414   -1.8912 C   0  0  0  0  0
    8.9117    1.6127   -1.7698 C   0  0  0  0  0
   11.2543    3.6512    0.9938 O   0  0  0  0  0
   12.6721    3.6351    0.8892 C   0  0  0  0  0
    0.7169    0.5955   -3.0257 H   0  0  0  0  0
    0.4921    2.1782   -2.2577 H   0  0  0  0  0
    0.5671    0.7169   -1.2626 H   0  0  0  0  0
    2.8721    1.8302   -2.9530 H   0  0  0  0  0
    2.9467    0.3637   -1.9521 H   0  0  0  0  0
    4.9001    1.8907   -1.3780 H   0  0  0  0  0
    4.5020    2.6632    1.2954 H   0  0  0  0  0
    4.4804    4.1199    0.2712 H   0  0  0  0  0
    9.0449    4.2896    1.9255 H   0  0  0  0  0
    6.5813    4.3326    2.0327 H   0  0  0  0  0
   12.1874    2.1328   -1.1065 H   0  0  0  0  0
   10.7435    0.9610   -2.6963 H   0  0  0  0  0
    8.2867    1.0848   -2.4864 H   0  0  0  0  0
   13.0733    4.2500    1.7008 H   0  0  0  0  0
   13.0043    4.0761   -0.0564 H   0  0  0  0  0
   13.0652    2.6211    1.0153 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  3  1  0  0  0
  2 22  1  0  0  0
  2 23  1  0  0  0
  3  5  1  0  0  0
  3  4  2  0  0  0
  5  6  1  0  0  0
  5 24  1  0  0  0
  6  7  1  0  0  0
  6 25  1  0  0  0
  6 26  1  0  0  0
  7 12  1  0  0  0
  7  8  2  0  0  0
  8  9  1  0  0  0
  9 16  1  0  0  0
  9 10  2  0  0  0
 10 13  1  0  0  0
 10 11  1  0  0  0
 11 12  2  0  0  0
 11 27  1  0  0  0
 12 28  1  0  0  0
 13 14  2  0  0  0
 13 17  1  0  0  0
 14 15  1  0  0  0
 14 29  1  0  0  0
 15 16  2  0  0  0
 15 30  1  0  0  0
 16 31  1  0  0  0
 17 18  1  0  0  0
 18 32  1  0  0  0
 18 33  1  0  0  0
 18 34  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3612611

>  <PubChem CID>
122188354

>  <Formula>
C14H16N2O2

>  <Molecular Weight>
244.294000

>  <IUPAC Name>
N-[(5-methoxyquinolin-2-yl)methyl]propanamide

>  <XlogP>
1.8

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CCC(=O)NCC1=NC2=C(C=C1)C(=CC=C2)OC

>  <Isomeric SMILES>
CCC(=O)NCC1=NC2=C(C=C1)C(=CC=C2)OC

>  <InChI Std. ID>
InChI=1S/C14H16N2O2/c1-3-14(17)15-9-10-7-8-11-12(16-10)5-4-6-13(11)18-2/h4-8H,3,9H2,1-2H3,(H,15,17)

>  <InChI Key>
AISYFPTXAZAJEG-UHFFFAOYSA-N

