
 CHEMBL385957

 52 55  0  0  0  0  0  0  0  0999 V2000
    2.2148    2.5610    2.5323 C   0  0  0  0  0
    2.6411    3.9241    2.0036 C   0  0  0  0  0
    3.1451    3.8849    0.5587 C   0  0  0  0  0
    4.4190    3.0997    0.3826 C   0  0  0  0  0
    4.2941    1.8214   -0.0324 N   0  0  0  0  0
    5.3983    1.0679   -0.1465 C   0  0  0  0  0
    6.6959    1.5575    0.1039 C   0  0  0  0  0
    7.7914    0.6591    0.0027 C   0  0  0  0  0
    7.6186   -0.6842   -0.3542 C   0  0  0  0  0
    6.3324   -1.1317   -0.6302 C   0  0  0  0  0
    5.2454   -0.2585   -0.5196 C   0  0  0  0  0
    8.7682   -1.5014   -0.4012 N   0  0  0  0  0
    8.8181   -2.8624   -0.6582 C   0  0  0  0  0
    7.8639   -3.5994   -0.8758 O   0  0  0  0  0
   10.1801   -3.4733   -0.6139 C   0  0  0  0  0
   11.3321   -2.7741   -0.9831 C   0  0  0  0  0
   12.5876   -3.3946   -0.9036 C   0  0  0  0  0
   12.7272   -4.7296   -0.4778 C   0  0  0  0  0
   11.5504   -5.4225   -0.1424 C   0  0  0  0  0
   10.2949   -4.8057   -0.2069 C   0  0  0  0  0
   14.0561   -5.3794   -0.3877 C   0  0  0  0  0
   14.3606   -6.2818    0.6499 C   0  0  0  0  0
   15.6142   -6.8979    0.7403 C   0  0  0  0  0
   16.5937   -6.6142   -0.2043 C   0  0  0  0  0
   16.3272   -5.7255   -1.2397 C   0  0  0  0  0
   15.0677   -5.1198   -1.3313 C   0  0  0  0  0
   18.1375   -7.3622   -0.0915 Cl  0  0  0  0  0
    6.8134    2.9272    0.4488 C   0  0  0  0  0
    5.6523    3.6736    0.6548 C   0  0  0  0  0
    8.0529    3.5113    0.7945 N   0  0  0  0  0
    1.7436    2.6703    3.5147 H   0  0  0  0  0
    3.0729    1.8932    2.6486 H   0  0  0  0  0
    1.4932    2.0855    1.8616 H   0  0  0  0  0
    3.4053    4.3467    2.6659 H   0  0  0  0  0
    1.7749    4.5969    2.0472 H   0  0  0  0  0
    3.3093    4.9100    0.2045 H   0  0  0  0  0
    2.3689    3.4614   -0.0910 H   0  0  0  0  0
    8.7902    1.0200    0.2295 H   0  0  0  0  0
    6.1282   -2.1565   -0.9213 H   0  0  0  0  0
    4.2439   -0.6349   -0.7200 H   0  0  0  0  0
    9.6331   -1.0524   -0.1313 H   0  0  0  0  0
   11.2800   -1.7562   -1.3585 H   0  0  0  0  0
   13.4647   -2.8130   -1.1782 H   0  0  0  0  0
   11.5906   -6.4664    0.1645 H   0  0  0  0  0
    9.4055   -5.3736    0.0625 H   0  0  0  0  0
   13.6224   -6.5101    1.4170 H   0  0  0  0  0
   15.8155   -7.5927    1.5519 H   0  0  0  0  0
   17.0883   -5.5011   -1.9829 H   0  0  0  0  0
   14.8844   -4.4457   -2.1670 H   0  0  0  0  0
    5.7066    4.6980    1.0075 H   0  0  0  0  0
    8.0380    4.5272    0.7637 H   0  0  0  0  0
    8.8312    3.1454    0.2571 H   0  0  0  0  0
  1  2  1  0  0  0
  1 31  1  0  0  0
  1 32  1  0  0  0
  1 33  1  0  0  0
  2  3  1  0  0  0
  2 34  1  0  0  0
  2 35  1  0  0  0
  3  4  1  0  0  0
  3 36  1  0  0  0
  3 37  1  0  0  0
  4 29  1  0  0  0
  4  5  2  0  0  0
  5  6  1  0  0  0
  6 11  1  0  0  0
  6  7  2  0  0  0
  7  8  1  0  0  0
  7 28  1  0  0  0
  8  9  2  0  0  0
  8 38  1  0  0  0
  9 10  1  0  0  0
  9 12  1  0  0  0
 10 11  2  0  0  0
 10 39  1  0  0  0
 11 40  1  0  0  0
 12 13  1  0  0  0
 12 41  1  0  0  0
 13 15  1  0  0  0
 13 14  2  0  0  0
 15 16  2  0  0  0
 15 20  1  0  0  0
 16 17  1  0  0  0
 16 42  1  0  0  0
 17 18  2  0  0  0
 17 43  1  0  0  0
 18 19  1  0  0  0
 18 21  1  0  0  0
 19 20  2  0  0  0
 19 44  1  0  0  0
 20 45  1  0  0  0
 21 22  2  0  0  0
 21 26  1  0  0  0
 22 23  1  0  0  0
 22 46  1  0  0  0
 23 24  2  0  0  0
 23 47  1  0  0  0
 24 25  1  0  0  0
 24 27  1  0  0  0
 25 26  2  0  0  0
 25 48  1  0  0  0
 26 49  1  0  0  0
 28 29  2  0  0  0
 28 30  1  0  0  0
 29 50  1  0  0  0
 30 51  1  0  0  0
 30 52  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL385957

>  <PubChem CID>
44417832

>  <Formula>
C25H22ClN3O

>  <Molecular Weight>
415.921000

>  <IUPAC Name>
N-(4-amino-2-propylquinolin-6-yl)-4-(4-chlorophenyl)benzamide

>  <XlogP>
5.8

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CCCC1=NC2=C(C=C(C=C2)NC(=O)C3=CC=C(C=C3)C4=CC=C(C=C4)Cl)C(=C1)N

>  <Isomeric SMILES>
CCCC1=NC2=C(C=C(C=C2)NC(=O)C3=CC=C(C=C3)C4=CC=C(C=C4)Cl)C(=C1)N

>  <InChI Std. ID>
InChI=1S/C25H22ClN3O/c1-2-3-20-15-23(27)22-14-21(12-13-24(22)28-20)29-25(30)18-6-4-16(5-7-18)17-8-10-19(26)11-9-17/h4-15H,2-3H2,1H3,(H2,27,28)(H,29,30)

>  <InChI Key>
BZLBLJIDXKUVIY-UHFFFAOYSA-N

