
 CHEMBL119551

 47 50  0  0  0  0  0  0  0  0999 V2000
    0.5632   -2.9754   -3.4310 C   0  0  0  0  0
    1.7991   -2.1079   -3.3286 C   0  0  0  0  0
    2.1030   -1.7226   -1.9056 C   0  0  0  0  0
    3.3961   -1.2309   -1.6367 C   0  0  0  0  0
    3.7611   -0.8506   -0.3508 C   0  0  0  0  0
    2.8309   -0.9411    0.6740 C   0  0  0  0  0
    1.5401   -1.4176    0.4144 C   0  0  0  0  0
    1.1471   -1.8286   -0.8692 C   0  0  0  0  0
   -0.1810   -2.3406   -1.1489 N   0  0  0  0  0
   -0.5440   -2.3949   -2.5742 C   0  0  0  0  0
   -1.0253   -2.8219   -0.1226 C   0  0  0  0  0
   -0.7110   -2.9510    1.0615 O   0  0  0  0  0
   -2.3912   -3.3252   -0.4384 C   0  0  0  0  0
   -2.7650   -4.5632    0.1012 C   0  0  0  0  0
   -4.0251   -5.1055   -0.1688 C   0  0  0  0  0
   -4.9284   -4.4254   -0.9926 C   0  0  0  0  0
   -4.5754   -3.1612   -1.4771 C   0  0  0  0  0
   -3.3229   -2.6004   -1.1832 C   0  0  0  0  0
   -6.1522   -5.0712   -1.2784 N   0  0  0  0  0
   -7.0968   -4.6771   -2.2116 C   0  0  0  0  0
   -7.0061   -3.7255   -2.9747 O   0  0  0  0  0
   -8.3070   -5.5474   -2.3189 C   0  0  0  0  0
   -8.9514   -5.6280   -3.5631 C   0  0  0  0  0
  -10.1020   -6.4056   -3.7173 C   0  0  0  0  0
  -10.6156   -7.1000   -2.6250 C   0  0  0  0  0
   -9.9897   -7.0210   -1.3805 C   0  0  0  0  0
   -8.8370   -6.2420   -1.2229 C   0  0  0  0  0
  -12.0385   -8.0490   -2.8080 Cl  0  0  0  0  0
    0.2415   -3.0389   -4.4767 H   0  0  0  0  0
    0.7881   -3.9953   -3.0957 H   0  0  0  0  0
    1.6635   -1.1907   -3.9147 H   0  0  0  0  0
    2.6460   -2.6557   -3.7598 H   0  0  0  0  0
    4.1289   -1.1528   -2.4374 H   0  0  0  0  0
    4.7633   -0.4821   -0.1507 H   0  0  0  0  0
    3.0989   -0.6387    1.6831 H   0  0  0  0  0
    0.8517   -1.4291    1.2533 H   0  0  0  0  0
   -1.4259   -3.0125   -2.7417 H   0  0  0  0  0
   -0.7908   -1.3716   -2.8868 H   0  0  0  0  0
   -2.0690   -5.1097    0.7358 H   0  0  0  0  0
   -4.2743   -6.0718    0.2620 H   0  0  0  0  0
   -5.2604   -2.5777   -2.0854 H   0  0  0  0  0
   -3.0867   -1.6068   -1.5547 H   0  0  0  0  0
   -6.2846   -5.9716   -0.8385 H   0  0  0  0  0
   -8.5595   -5.0786   -4.4178 H   0  0  0  0  0
  -10.5926   -6.4561   -4.6861 H   0  0  0  0  0
  -10.4046   -7.5519   -0.5268 H   0  0  0  0  0
   -8.3939   -6.1633   -0.2342 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 45  1  0  0  0
 25 26  1  0  0  0
 25 28  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>
CHEMBL119551

>  <PubChem CID>
10668163

>  <Formula>
C23H19ClN2O2

>  <Molecular Weight>
390.867000

>  <IUPAC Name>
4-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=C(C=C4)Cl

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

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

>  <InChI Key>
BPPRDRKLCGZUHF-UHFFFAOYSA-N

