
 CHEMBL331956

 40 42  0  0  0  0  0  0  0  0999 V2000
    0.7349    1.6524   -0.7005 C   0  0  0  0  0
    2.1653    2.0212   -1.0045 C   0  0  0  0  0
    2.4348    2.8481   -1.8677 O   0  0  0  0  0
    3.0569    1.3492   -0.1883 N   0  0  0  0  0
    4.4645    1.4417   -0.2003 C   0  0  0  0  0
    5.1937    2.1353   -1.1705 C   0  0  0  0  0
    6.5938    2.1812   -1.1140 C   0  0  0  0  0
    7.2661    1.5766   -0.0514 C   0  0  0  0  0
    6.5478    0.8471    0.9002 C   0  0  0  0  0
    5.1535    0.7772    0.8217 C   0  0  0  0  0
    8.7464    1.5738    0.0481 C   0  0  0  0  0
    9.2351    0.4497   -0.0514 O   0  0  0  0  0
    9.4302    2.7844    0.3158 N   0  0  0  0  0
    8.6831    4.0407    0.4956 C   0  0  0  0  0
    9.5232    5.2921    0.3224 C   0  0  0  0  0
   10.6430    5.2688    1.3350 C   0  0  0  0  0
   11.4224    3.9903    1.1998 C   0  0  0  0  0
   12.7600    4.0008    1.6436 C   0  0  0  0  0
   13.5482    2.8615    1.5515 C   0  0  0  0  0
   13.0070    1.7070    1.0083 C   0  0  0  0  0
   11.6730    1.6847    0.5800 C   0  0  0  0  0
   10.8370    2.8075    0.6882 C   0  0  0  0  0
    0.6077    0.5674   -0.7489 H   0  0  0  0  0
    0.0722    2.1129   -1.4389 H   0  0  0  0  0
    0.4638    2.0151    0.2949 H   0  0  0  0  0
    2.6559    0.7606    0.5306 H   0  0  0  0  0
    4.7034    2.6343   -2.0013 H   0  0  0  0  0
    7.1448    2.6887   -1.9014 H   0  0  0  0  0
    7.0746    0.3180    1.6915 H   0  0  0  0  0
    4.6216    0.1989    1.5727 H   0  0  0  0  0
    7.8775    4.1085   -0.2353 H   0  0  0  0  0
    8.2185    4.0097    1.4890 H   0  0  0  0  0
    8.9070    6.1870    0.4611 H   0  0  0  0  0
    9.9307    5.3310   -0.6966 H   0  0  0  0  0
   10.2461    5.3407    2.3546 H   0  0  0  0  0
   11.2931    6.1353    1.1650 H   0  0  0  0  0
   13.1913    4.9078    2.0622 H   0  0  0  0  0
   14.5789    2.8761    1.8939 H   0  0  0  0  0
   13.6141    0.8099    0.9160 H   0  0  0  0  0
   11.3318    0.7482    0.1546 H   0  0  0  0  0
  1  2  1  0  0  0
  1 23  1  0  0  0
  1 24  1  0  0  0
  1 25  1  0  0  0
  2  4  1  0  0  0
  2  3  2  0  0  0
  4  5  1  0  0  0
  4 26  1  0  0  0
  5  6  2  0  0  0
  5 10  1  0  0  0
  6  7  1  0  0  0
  6 27  1  0  0  0
  7  8  2  0  0  0
  7 28  1  0  0  0
  8  9  1  0  0  0
  8 11  1  0  0  0
  9 10  2  0  0  0
  9 29  1  0  0  0
 10 30  1  0  0  0
 11 13  1  0  0  0
 11 12  2  0  0  0
 13 14  1  0  0  0
 13 22  1  0  0  0
 14 15  1  0  0  0
 14 31  1  0  0  0
 14 32  1  0  0  0
 15 16  1  0  0  0
 15 33  1  0  0  0
 15 34  1  0  0  0
 16 17  1  0  0  0
 16 35  1  0  0  0
 16 36  1  0  0  0
 17 18  2  0  0  0
 17 22  1  0  0  0
 18 19  1  0  0  0
 18 37  1  0  0  0
 19 20  2  0  0  0
 19 38  1  0  0  0
 20 21  1  0  0  0
 20 39  1  0  0  0
 21 22  2  0  0  0
 21 40  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL331956

>  <PubChem CID>
669479

>  <Formula>
C18H18N2O2

>  <Molecular Weight>
294.354000

>  <IUPAC Name>
N-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]acetamide

>  <XlogP>
2.5

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CC(=O)NC1=CC=C(C=C1)C(=O)N2CCCC3=CC=CC=C32

>  <Isomeric SMILES>
CC(=O)NC1=CC=C(C=C1)C(=O)N2CCCC3=CC=CC=C32

>  <InChI Std. ID>
InChI=1S/C18H18N2O2/c1-13(21)19-16-10-8-15(9-11-16)18(22)20-12-4-6-14-5-2-3-7-17(14)20/h2-3,5,7-11H,4,6,12H2,1H3,(H,19,21)

>  <InChI Key>
BTHHYGOCYRAYLZ-UHFFFAOYSA-N

