
 CHEMBL372649

 69 73  0  0  0  0  0  0  0  0999 V2000
    2.6068   -1.5116    2.2074 C   0  0  0  0  0
    1.4987   -0.5382    1.8796 C   0  0  0  0  0
    0.3731   -0.8352    2.2966 O   0  0  0  0  0
    1.7758    0.6733    1.2072 N   0  0  0  0  0
    2.9892    0.9422    0.4689 C   0  0  0  0  0
    3.4612    2.2525    0.2512 C   0  0  0  0  0
    4.7573    2.4427   -0.3038 C   0  0  0  0  0
    5.5330    1.3813   -0.7615 C   0  0  0  0  0
    5.0044    0.1049   -0.6729 C   0  0  0  0  0
    3.7482   -0.1007   -0.0851 C   0  0  0  0  0
    6.7425    1.7245   -1.3052 O   0  0  0  0  0
    7.5614    0.6458   -1.7617 C   0  0  0  0  0
    8.8062    1.1281   -2.4790 C   0  0  0  0  0
    9.4093    0.2894   -3.4225 C   0  0  0  0  0
   10.5691    0.6839   -4.1018 C   0  0  0  0  0
   11.1674    1.9296   -3.8593 C   0  0  0  0  0
   10.5724    2.7513   -2.8850 C   0  0  0  0  0
    9.4126    2.3557   -2.1972 C   0  0  0  0  0
   12.3636    2.3602   -4.6159 C   0  0  0  0  0
   12.4609    2.1414   -6.0034 C   0  0  0  0  0
   13.5827    2.5518   -6.7305 C   0  0  0  0  0
   14.6330    3.1960   -6.0842 C   0  0  0  0  0
   14.5626    3.4242   -4.7134 C   0  0  0  0  0
   13.4411    3.0075   -3.9871 C   0  0  0  0  0
    2.6100    3.4826    0.5834 C   0  0  0  0  0
    1.1331    3.0455    0.5431 C   0  0  0  0  0
    0.7507    1.7640    1.3201 C   0  0  0  0  0
    0.4696    2.1190    2.8001 C   0  0  0  0  0
   -0.5977    1.3122    0.6817 C   0  0  0  0  0
    2.7324    4.4982   -0.6082 C   0  0  0  0  0
    3.0104    4.1792    1.9010 C   0  0  0  0  0
    3.6786    3.4916    2.9315 C   0  0  0  0  0
    4.0758    4.1389    4.1067 C   0  0  0  0  0
    3.8283    5.4961    4.2765 C   0  0  0  0  0
    3.1628    6.2004    3.2811 C   0  0  0  0  0
    2.7455    5.5471    2.1168 C   0  0  0  0  0
    2.6498   -2.2967    1.4477 H   0  0  0  0  0
    2.3680   -1.9986    3.1597 H   0  0  0  0  0
    3.5726   -1.0240    2.3455 H   0  0  0  0  0
    5.1716    3.4452   -0.3971 H   0  0  0  0  0
    5.5280   -0.7668   -1.0501 H   0  0  0  0  0
    3.3688   -1.1157   -0.1162 H   0  0  0  0  0
    6.9916    0.0383   -2.4755 H   0  0  0  0  0
    7.8747    0.0329   -0.9076 H   0  0  0  0  0
    8.9811   -0.6855   -3.6493 H   0  0  0  0  0
   11.0041   -0.0021   -4.8255 H   0  0  0  0  0
   10.9969    3.7276   -2.6612 H   0  0  0  0  0
    8.9862    3.0243   -1.4541 H   0  0  0  0  0
   11.6470    1.6581   -6.5396 H   0  0  0  0  0
   13.6293    2.3727   -7.8015 H   0  0  0  0  0
   15.5026    3.5207   -6.6493 H   0  0  0  0  0
   15.3815    3.9266   -4.2048 H   0  0  0  0  0
   13.4229    3.1866   -2.9142 H   0  0  0  0  0
    0.4813    3.8776    0.8467 H   0  0  0  0  0
    0.8797    2.8604   -0.5139 H   0  0  0  0  0
    1.3889    2.2426    3.3743 H   0  0  0  0  0
   -0.1057    1.3386    3.3096 H   0  0  0  0  0
   -0.1177    3.0400    2.8871 H   0  0  0  0  0
   -0.4337    0.8945   -0.3185 H   0  0  0  0  0
   -1.2905    2.1570    0.5870 H   0  0  0  0  0
   -1.1250    0.5552    1.2678 H   0  0  0  0  0
    2.6485    3.9912   -1.5784 H   0  0  0  0  0
    3.6829    5.0436   -0.6002 H   0  0  0  0  0
    1.9336    5.2500   -0.5859 H   0  0  0  0  0
    3.8986    2.4299    2.8442 H   0  0  0  0  0
    4.5845    3.5782    4.8865 H   0  0  0  0  0
    4.1520    6.0024    5.1817 H   0  0  0  0  0
    2.9700    7.2633    3.4042 H   0  0  0  0  0
    2.2243    6.1442    1.3735 H   0  0  0  0  0
  1  2  1  0  0  0
  1 37  1  0  0  0
  1 38  1  0  0  0
  1 39  1  0  0  0
  2  4  1  0  0  0
  2  3  2  0  0  0
  4 27  1  0  0  0
  4  5  1  0  0  0
  5 10  1  0  0  0
  5  6  2  0  0  0
  6  7  1  0  0  0
  6 25  1  0  0  0
  7  8  2  0  0  0
  7 40  1  0  0  0
  8  9  1  0  0  0
  8 11  1  0  0  0
  9 10  2  0  0  0
  9 41  1  0  0  0
 10 42  1  0  0  0
 11 12  1  0  0  0
 12 13  1  0  0  0
 12 43  1  0  0  0
 12 44  1  0  0  0
 13 14  2  0  0  0
 13 18  1  0  0  0
 14 15  1  0  0  0
 14 45  1  0  0  0
 15 16  2  0  0  0
 15 46  1  0  0  0
 16 17  1  0  0  0
 16 19  1  0  0  0
 17 18  2  0  0  0
 17 47  1  0  0  0
 18 48  1  0  0  0
 19 20  2  0  0  0
 19 24  1  0  0  0
 20 21  1  0  0  0
 20 49  1  0  0  0
 21 22  2  0  0  0
 21 50  1  0  0  0
 22 23  1  0  0  0
 22 51  1  0  0  0
 23 24  2  0  0  0
 23 52  1  0  0  0
 24 53  1  0  0  0
 25 26  1  0  0  0
 25 31  1  0  0  0
 25 30  1  0  0  0
 26 27  1  0  0  0
 26 54  1  0  0  0
 26 55  1  0  0  0
 27 29  1  0  0  0
 27 28  1  0  0  0
 28 56  1  0  0  0
 28 57  1  0  0  0
 28 58  1  0  0  0
 29 59  1  0  0  0
 29 60  1  0  0  0
 29 61  1  0  0  0
 30 62  1  0  0  0
 30 63  1  0  0  0
 30 64  1  0  0  0
 31 32  2  0  0  0
 31 36  1  0  0  0
 32 33  1  0  0  0
 32 65  1  0  0  0
 33 34  2  0  0  0
 33 66  1  0  0  0
 34 35  1  0  0  0
 34 67  1  0  0  0
 35 36  2  0  0  0
 35 68  1  0  0  0
 36 69  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL372649

>  <PubChem CID>
11190706

>  <Formula>
C33H33NO2

>  <Molecular Weight>
475.632000

>  <IUPAC Name>
1-[2,2,4-trimethyl-4-phenyl-6-[(4-phenylphenyl)methoxy]-3H-quinolin-1-yl]ethanone

>  <XlogP>
7.4

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CC(=O)N1C2=C(C=C(C=C2)OCC3=CC=C(C=C3)C4=CC=CC=C4)C(CC1(C)C)(C)C5=CC=CC=C5

>  <Isomeric SMILES>
CC(=O)N1C2=C(C=C(C=C2)OCC3=CC=C(C=C3)C4=CC=CC=C4)C(CC1(C)C)(C)C5=CC=CC=C5

>  <InChI Std. ID>
InChI=1S/C33H33NO2/c1-24(35)34-31-20-19-29(36-22-25-15-17-27(18-16-25)26-11-7-5-8-12-26)21-30(31)33(4,23-32(34,2)3)28-13-9-6-10-14-28/h5-21H,22-23H2,1-4H3

>  <InChI Key>
GOZACAOMDPYIPZ-UHFFFAOYSA-N

