
 CHEMBL121455

 47 50  0  0  0  0  0  0  0  0999 V2000
   -1.7339   -4.2317    4.6768 C   0  0  0  0  0
   -2.9598   -3.3659    4.9374 C   0  0  0  0  0
   -3.6686   -2.9319    3.6767 C   0  0  0  0  0
   -4.9151   -2.2966    3.7978 C   0  0  0  0  0
   -5.5819   -1.8208    2.6708 C   0  0  0  0  0
   -4.9992   -1.9538    1.4150 C   0  0  0  0  0
   -3.7638   -2.5911    1.2805 C   0  0  0  0  0
   -3.1010   -3.1147    2.3991 C   0  0  0  0  0
   -1.8527   -3.7966    2.2859 N   0  0  0  0  0
   -0.9851   -3.7179    3.4601 C   0  0  0  0  0
   -1.3548   -4.4587    1.1574 C   0  0  0  0  0
   -0.1468   -4.6183    0.9681 O   0  0  0  0  0
   -2.2824   -5.1365    0.2002 C   0  0  0  0  0
   -3.5100   -5.6821    0.5937 C   0  0  0  0  0
   -4.3264   -6.3362   -0.3386 C   0  0  0  0  0
   -3.9124   -6.4942   -1.6676 C   0  0  0  0  0
   -2.6628   -5.9988   -2.0420 C   0  0  0  0  0
   -1.8547   -5.3240   -1.1182 C   0  0  0  0  0
   -4.7884   -7.1714   -2.5451 N   0  0  0  0  0
   -4.6154   -7.3656   -3.9034 C   0  0  0  0  0
   -3.7028   -6.9242   -4.5925 O   0  0  0  0  0
   -5.6777   -8.1568   -4.5876 C   0  0  0  0  0
   -6.3634   -9.1967   -3.9491 C   0  0  0  0  0
   -7.3311   -9.9140   -4.6543 C   0  0  0  0  0
   -7.6157   -9.6145   -5.9861 C   0  0  0  0  0
   -6.9227   -8.5902   -6.6286 C   0  0  0  0  0
   -5.9540   -7.8663   -5.9321 C   0  0  0  0  0
   -8.1779  -11.1921   -3.8714 Cl  0  0  0  0  0
   -1.0844   -4.2383    5.5589 H   0  0  0  0  0
   -2.0480   -5.2683    4.4977 H   0  0  0  0  0
   -2.6497   -2.4623    5.4768 H   0  0  0  0  0
   -3.6522   -3.9176    5.5844 H   0  0  0  0  0
   -5.3683   -2.1641    4.7783 H   0  0  0  0  0
   -6.5452   -1.3282    2.7759 H   0  0  0  0  0
   -5.4997   -1.5528    0.5373 H   0  0  0  0  0
   -3.3190   -2.6382    0.2900 H   0  0  0  0  0
   -0.0791   -4.3162    3.3170 H   0  0  0  0  0
   -0.6701   -2.6749    3.5883 H   0  0  0  0  0
   -3.8474   -5.6096    1.6240 H   0  0  0  0  0
   -5.2852   -6.7224   -0.0021 H   0  0  0  0  0
   -2.2735   -6.1281   -3.0468 H   0  0  0  0  0
   -0.8788   -4.9601   -1.4340 H   0  0  0  0  0
   -5.6619   -7.4802   -2.1367 H   0  0  0  0  0
   -6.1317   -9.4796   -2.9271 H   0  0  0  0  0
   -8.3663  -10.1814   -6.5319 H   0  0  0  0  0
   -7.1281   -8.3589   -7.6712 H   0  0  0  0  0
   -5.4074   -7.0738   -6.4420 H   0  0  0  0  0
  1 10  1  0  0  0
  1  2  1  0  0  0
  1 29  1  0  0  0
  1 30  1  0  0  0
  2  3  1  0  0  0
  2 31  1  0  0  0
  2 32  1  0  0  0
  3  8  1  0  0  0
  3  4  2  0  0  0
  4  5  1  0  0  0
  4 33  1  0  0  0
  5  6  2  0  0  0
  5 34  1  0  0  0
  6  7  1  0  0  0
  6 35  1  0  0  0
  7  8  2  0  0  0
  7 36  1  0  0  0
  8  9  1  0  0  0
  9 10  1  0  0  0
  9 11  1  0  0  0
 10 37  1  0  0  0
 10 38  1  0  0  0
 11 13  1  0  0  0
 11 12  2  0  0  0
 13 14  2  0  0  0
 13 18  1  0  0  0
 14 15  1  0  0  0
 14 39  1  0  0  0
 15 16  2  0  0  0
 15 40  1  0  0  0
 16 17  1  0  0  0
 16 19  1  0  0  0
 17 18  2  0  0  0
 17 41  1  0  0  0
 18 42  1  0  0  0
 19 20  1  0  0  0
 19 43  1  0  0  0
 20 22  1  0  0  0
 20 21  2  0  0  0
 22 23  2  0  0  0
 22 27  1  0  0  0
 23 24  1  0  0  0
 23 44  1  0  0  0
 24 25  2  0  0  0
 24 28  1  0  0  0
 25 26  1  0  0  0
 25 45  1  0  0  0
 26 27  2  0  0  0
 26 46  1  0  0  0
 27 47  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL121455

>  <PubChem CID>
10548464

>  <Formula>
C23H19ClN2O2

>  <Molecular Weight>
390.867000

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

>  <XlogP>
4.8

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
C1CC2=CC=CC=C2N(C1)C(=O)C3=CC=C(C=C3)NC(=O)C4=CC(=CC=C4)Cl

>  <Isomeric SMILES>
C1CC2=CC=CC=C2N(C1)C(=O)C3=CC=C(C=C3)NC(=O)C4=CC(=CC=C4)Cl

>  <InChI Std. ID>
InChI=1S/C23H19ClN2O2/c24-19-8-3-6-18(15-19)22(27)25-20-12-10-17(11-13-20)23(28)26-14-4-7-16-5-1-2-9-21(16)26/h1-3,5-6,8-13,15H,4,7,14H2,(H,25,27)

>  <InChI Key>
DTCHNWYQYUTVHL-UHFFFAOYSA-N

