
 CHEMBL275544

 51 54  0  0  0  0  0  0  0  0999 V2000
    0.9534    2.3313   -1.1730 C   0  0  0  0  0
    2.4586    2.3463   -1.4124 C   0  0  0  0  0
    3.2238    1.3640   -0.5033 C   0  0  0  0  0
    2.9373   -0.1127   -0.7252 C   0  0  0  0  0
    3.0139   -0.9836    0.3757 C   0  0  0  0  0
    2.8094   -2.3552    0.2227 C   0  0  0  0  0
    2.5327   -2.8804   -1.0362 C   0  0  0  0  0
    2.4701   -2.0358   -2.1421 C   0  0  0  0  0
    2.6792   -0.6624   -1.9906 C   0  0  0  0  0
    4.6541    1.5625   -0.6637 N   0  0  0  0  0
    5.4658    2.1233    0.2927 C   0  0  0  0  0
    5.0433    2.5093    1.3767 O   0  0  0  0  0
    6.9218    2.2335   -0.0591 C   0  0  0  0  0
    7.3106    2.5224   -1.3796 C   0  0  0  0  0
    8.6669    2.7053   -1.6555 C   0  0  0  0  0
    9.6145    2.5528   -0.7019 N   0  0  0  0  0
    9.2559    2.2209    0.5450 C   0  0  0  0  0
   10.2795    2.0315    1.4640 C   0  0  0  0  0
   10.0319    1.6475    2.7805 C   0  0  0  0  0
    8.7254    1.4497    3.1950 C   0  0  0  0  0
    7.6804    1.6458    2.2907 C   0  0  0  0  0
    7.9159    2.0417    0.9448 C   0  0  0  0  0
    9.2052    3.0319   -2.9924 C   0  0  0  0  0
   10.3020    2.3173   -3.5066 C   0  0  0  0  0
   10.7997    2.5731   -4.7863 C   0  0  0  0  0
   10.2105    3.5543   -5.5780 C   0  0  0  0  0
    9.1420    4.2963   -5.0821 C   0  0  0  0  0
    8.6539    4.0474   -3.7959 C   0  0  0  0  0
    6.3628    2.5664   -2.3758 O   0  0  0  0  0
    0.4631    3.0528   -1.8372 H   0  0  0  0  0
    0.7215    2.6132   -0.1419 H   0  0  0  0  0
    0.5195    1.3490   -1.3701 H   0  0  0  0  0
    2.8236    3.3646   -1.2242 H   0  0  0  0  0
    2.6647    2.1513   -2.4718 H   0  0  0  0  0
    2.9493    1.6116    0.5302 H   0  0  0  0  0
    3.2488   -0.5896    1.3635 H   0  0  0  0  0
    2.8737   -3.0117    1.0861 H   0  0  0  0  0
    2.3752   -3.9489   -1.1567 H   0  0  0  0  0
    2.2642   -2.4476   -3.1267 H   0  0  0  0  0
    2.6419   -0.0349   -2.8767 H   0  0  0  0  0
    5.0560    1.3706   -1.5736 H   0  0  0  0  0
   11.3082    2.1784    1.1403 H   0  0  0  0  0
   10.8580    1.4987    3.4705 H   0  0  0  0  0
    8.5127    1.1415    4.2158 H   0  0  0  0  0
    6.6691    1.4688    2.6517 H   0  0  0  0  0
   10.7779    1.5477   -2.8994 H   0  0  0  0  0
   11.6489    2.0063   -5.1595 H   0  0  0  0  0
   10.5945    3.7497   -6.5763 H   0  0  0  0  0
    8.6939    5.0763   -5.6928 H   0  0  0  0  0
    7.8367    4.6637   -3.4221 H   0  0  0  0  0
    6.8044    2.5119   -3.2438 H   0  0  0  0  0
  1  2  1  0  0  0
  1 30  1  0  0  0
  1 31  1  0  0  0
  1 32  1  0  0  0
  2  3  1  0  0  0
  2 33  1  0  0  0
  2 34  1  0  0  0
  3 10  1  0  0  0
  3  4  1  0  0  0
  3 35  1  0  0  0
  4  5  2  0  0  0
  4  9  1  0  0  0
  5  6  1  0  0  0
  5 36  1  0  0  0
  6  7  2  0  0  0
  6 37  1  0  0  0
  7  8  1  0  0  0
  7 38  1  0  0  0
  8  9  2  0  0  0
  8 39  1  0  0  0
  9 40  1  0  0  0
 10 11  1  0  0  0
 10 41  1  0  0  0
 11 13  1  0  0  0
 11 12  2  0  0  0
 13 14  2  0  0  0
 13 22  1  0  0  0
 14 15  1  0  0  0
 14 29  1  0  0  0
 15 16  2  0  0  0
 15 23  1  0  0  0
 16 17  1  0  0  0
 17 18  2  0  0  0
 17 22  1  0  0  0
 18 19  1  0  0  0
 18 42  1  0  0  0
 19 20  2  0  0  0
 19 43  1  0  0  0
 20 21  1  0  0  0
 20 44  1  0  0  0
 21 22  2  0  0  0
 21 45  1  0  0  0
 23 24  2  0  0  0
 23 28  1  0  0  0
 24 25  1  0  0  0
 24 46  1  0  0  0
 25 26  2  0  0  0
 25 47  1  0  0  0
 26 27  1  0  0  0
 26 48  1  0  0  0
 27 28  2  0  0  0
 27 49  1  0  0  0
 28 50  1  0  0  0
 29 51  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL275544

>  <PubChem CID>
133090

>  <Formula>
C25H22N2O2

>  <Molecular Weight>
382.463000

>  <IUPAC Name>
3-hydroxy-2-phenyl-N-(1-phenylpropyl)quinoline-4-carboxamide

>  <XlogP>
5.7

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CCC(C1=CC=CC=C1)NC(=O)C2=C(C(=NC3=CC=CC=C32)C4=CC=CC=C4)O

>  <Isomeric SMILES>
CCC(C1=CC=CC=C1)NC(=O)C2=C(C(=NC3=CC=CC=C32)C4=CC=CC=C4)O

>  <InChI Std. ID>
InChI=1S/C25H22N2O2/c1-2-20(17-11-5-3-6-12-17)27-25(29)22-19-15-9-10-16-21(19)26-23(24(22)28)18-13-7-4-8-14-18/h3-16,20,28H,2H2,1H3,(H,27,29)

>  <InChI Key>
BIAVGWDGIJKWRM-UHFFFAOYSA-N

