
 CHEMBL217751

 42 44  0  0  0  0  0  0  0  0999 V2000
   -1.7793   -1.6096   -1.6757 C   0  0  0  0  0
   -0.5380   -2.0402   -2.1492 C   0  0  0  0  0
    0.5907   -2.0143   -1.3179 C   0  0  0  0  0
    0.4508   -1.5410   -0.0040 C   0  0  0  0  0
   -0.7918   -1.1117    0.4695 C   0  0  0  0  0
   -1.9184   -1.1509   -0.3607 C   0  0  0  0  0
   -3.2625   -0.6904    0.1468 C   0  0  0  0  0
   -3.4553    0.8121   -0.0488 C   0  0  0  0  0
   -4.8115    1.2699    0.4629 C   0  0  0  0  0
   -5.7480    0.4903    0.5990 O   0  0  0  0  0
   -4.8335    2.6340    0.7078 N   0  0  0  0  0
   -5.9304    3.4079    1.1397 C   0  0  0  0  0
   -5.6824    4.7434    1.4734 C   0  0  0  0  0
   -6.7234    5.5858    1.9127 C   0  0  0  0  0
   -8.0414    5.0997    2.0059 C   0  0  0  0  0
   -8.2683    3.7753    1.6650 C   0  0  0  0  0
   -7.2335    2.9291    1.2403 C   0  0  0  0  0
   -9.0688    5.8699    2.4099 N   0  0  0  0  0
   -8.8212    7.1459    2.7448 C   0  0  0  0  0
   -7.5585    7.7099    2.6873 C   0  0  0  0  0
   -6.4949    6.9194    2.2672 C   0  0  0  0  0
   -9.9193    7.9112    3.1313 N   0  0  0  0  0
    1.9355   -2.4900   -1.8082 C   0  0  0  0  0
    2.8850   -1.5144   -1.7509 F   0  0  0  0  0
    2.4227   -3.5274   -1.0718 F   0  0  0  0  0
    1.9254   -2.9229   -3.1000 F   0  0  0  0  0
   -2.6418   -1.6445   -2.3390 H   0  0  0  0  0
   -0.4576   -2.4025   -3.1736 H   0  0  0  0  0
    1.3144   -1.5119    0.6599 H   0  0  0  0  0
   -0.8751   -0.7564    1.4950 H   0  0  0  0  0
   -3.3581   -0.9463    1.2107 H   0  0  0  0  0
   -4.0563   -1.2515   -0.3625 H   0  0  0  0  0
   -3.3971    1.0705   -1.1131 H   0  0  0  0  0
   -2.6614    1.3613    0.4725 H   0  0  0  0  0
   -3.9545    3.1270    0.6128 H   0  0  0  0  0
   -4.6740    5.1440    1.4058 H   0  0  0  0  0
   -9.2804    3.3832    1.7282 H   0  0  0  0  0
   -7.4917    1.9063    0.9834 H   0  0  0  0  0
   -7.4041    8.7501    2.9495 H   0  0  0  0  0
   -5.4990    7.3514    2.2140 H   0  0  0  0  0
   -9.7742    8.3361    4.0393 H   0  0  0  0  0
  -10.7223    7.2863    3.1344 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  2  0  0  0
  1 27  1  0  0  0
  2  3  1  0  0  0
  2 28  1  0  0  0
  3  4  2  0  0  0
  3 23  1  0  0  0
  4  5  1  0  0  0
  4 29  1  0  0  0
  5  6  2  0  0  0
  5 30  1  0  0  0
  6  7  1  0  0  0
  7  8  1  0  0  0
  7 31  1  0  0  0
  7 32  1  0  0  0
  8  9  1  0  0  0
  8 33  1  0  0  0
  8 34  1  0  0  0
  9 11  1  0  0  0
  9 10  2  0  0  0
 11 12  1  0  0  0
 11 35  1  0  0  0
 12 17  1  0  0  0
 12 13  2  0  0  0
 13 14  1  0  0  0
 13 36  1  0  0  0
 14 21  1  0  0  0
 14 15  2  0  0  0
 15 18  1  0  0  0
 15 16  1  0  0  0
 16 17  2  0  0  0
 16 37  1  0  0  0
 17 38  1  0  0  0
 18 19  2  0  0  0
 19 20  1  0  0  0
 19 22  1  0  0  0
 20 21  2  0  0  0
 20 39  1  0  0  0
 21 40  1  0  0  0
 22 41  1  0  0  0
 22 42  1  0  0  0
 23 26  1  0  0  0
 23 25  1  0  0  0
 23 24  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL217751

>  <PubChem CID>
44417982

>  <Formula>
C19H16F3N3O

>  <Molecular Weight>
359.352000

>  <IUPAC Name>
N-(2-aminoquinolin-6-yl)-3-[4-(trifluoromethyl)phenyl]propanamide

>  <XlogP>
3.8

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
C1=CC(=CC=C1CCC(=O)NC2=CC3=C(C=C2)N=C(C=C3)N)C(F)(F)F

>  <Isomeric SMILES>
C1=CC(=CC=C1CCC(=O)NC2=CC3=C(C=C2)N=C(C=C3)N)C(F)(F)F

>  <InChI Std. ID>
InChI=1S/C19H16F3N3O/c20-19(21,22)14-5-1-12(2-6-14)3-10-18(26)24-15-7-8-16-13(11-15)4-9-17(23)25-16/h1-2,4-9,11H,3,10H2,(H2,23,25)(H,24,26)

>  <InChI Key>
AAOYBQGKRBCNLH-UHFFFAOYSA-N

