
 CHEMBL259642

 68 72  0  0  0  0  0  0  0  0999 V2000
    5.0087    4.5550   -0.2947 C   0  0  0  0  0
    4.1573    3.7724    0.6944 C   0  0  0  0  0
    3.6726    2.4690    0.1896 N   0  0  0  0  0
    2.1907    2.2487    0.1195 C   0  0  0  0  0
    1.5633    2.9153   -1.1300 C   0  0  0  0  0
    1.2689    4.3978   -0.9622 C   0  0  0  0  0
    0.3911    4.6540    0.2482 C   0  0  0  0  0
    0.7691    3.8665    1.4732 C   0  0  0  0  0
    1.4817    2.6701    1.3996 C   0  0  0  0  0
    1.5252    1.8936    2.5628 C   0  0  0  0  0
    0.9714    2.3858    3.7482 C   0  0  0  0  0
    0.3894    3.6531    3.7740 C   0  0  0  0  0
    0.2715    4.3602    2.6333 N   0  0  0  0  0
   -0.0791    4.3130    5.0334 C   0  0  0  0  0
    0.5715    3.9683    6.2482 C   0  0  0  0  0
    0.2271    4.5273    7.4803 C   0  0  0  0  0
   -0.7724    5.4790    7.5423 C   0  0  0  0  0
   -1.4197    5.8698    6.3734 C   0  0  0  0  0
   -1.1078    5.3023    5.1126 C   0  0  0  0  0
   -1.8597    5.8329    3.8873 C   0  0  0  0  0
   -3.3449    6.1487    4.1322 C   0  0  0  0  0
   -1.1605    7.0854    3.3428 C   0  0  0  0  0
    2.1417    0.6731    2.4646 O   0  0  0  0  0
    1.7414   -0.3224    3.3996 C   0  0  0  0  0
    4.5564    1.5572   -0.4386 C   0  0  0  0  0
    4.1065    0.8181   -1.5564 C   0  0  0  0  0
    4.9543    0.0440   -2.3482 C   0  0  0  0  0
    6.3017   -0.0205   -2.0501 C   0  0  0  0  0
    6.8046    0.6159   -0.9170 C   0  0  0  0  0
    8.1766    0.4911   -0.6371 C   0  0  0  0  0
    8.7308    1.0372    0.5133 C   0  0  0  0  0
    7.9027    1.6741    1.4221 C   0  0  0  0  0
    6.5357    1.8038    1.1489 C   0  0  0  0  0
    5.9369    1.3573   -0.0561 C   0  0  0  0  0
    5.2473    5.5383    0.1267 H   0  0  0  0  0
    4.4792    4.7136   -1.2399 H   0  0  0  0  0
    5.9580    4.0657   -0.5223 H   0  0  0  0  0
    3.3194    4.4252    0.9452 H   0  0  0  0  0
    4.6652    3.6639    1.6526 H   0  0  0  0  0
    1.9999    1.1715    0.0198 H   0  0  0  0  0
    2.1931    2.7916   -2.0170 H   0  0  0  0  0
    0.6158    2.4046   -1.3502 H   0  0  0  0  0
    0.7668    4.7768   -1.8614 H   0  0  0  0  0
    2.1975    4.9666   -0.8797 H   0  0  0  0  0
   -0.6444    4.3878   -0.0005 H   0  0  0  0  0
    0.3975    5.7256    0.4796 H   0  0  0  0  0
    1.0199    1.8007    4.6571 H   0  0  0  0  0
    1.4000    3.2622    6.2509 H   0  0  0  0  0
    0.7562    4.2288    8.3814 H   0  0  0  0  0
   -1.0398    5.9337    8.4917 H   0  0  0  0  0
   -2.1739    6.6481    6.4594 H   0  0  0  0  0
   -1.8823    5.0590    3.1150 H   0  0  0  0  0
   -3.4863    7.0302    4.7673 H   0  0  0  0  0
   -3.8572    5.3015    4.6010 H   0  0  0  0  0
   -3.8470    6.3603    3.1817 H   0  0  0  0  0
   -1.1937    7.9076    4.0671 H   0  0  0  0  0
   -1.6435    7.4305    2.4223 H   0  0  0  0  0
   -0.1057    6.9005    3.1159 H   0  0  0  0  0
    2.1208   -1.2854    3.0464 H   0  0  0  0  0
    0.6501   -0.3984    3.4649 H   0  0  0  0  0
    2.1813   -0.1309    4.3840 H   0  0  0  0  0
    3.0735    0.8512   -1.8804 H   0  0  0  0  0
    4.5587   -0.4824   -3.2125 H   0  0  0  0  0
    6.9538   -0.6033   -2.6981 H   0  0  0  0  0
    8.8298   -0.0494   -1.3207 H   0  0  0  0  0
    9.7922    0.9338    0.7131 H   0  0  0  0  0
    8.3094    2.0622    2.3526 H   0  0  0  0  0
    5.9221    2.2307    1.9342 H   0  0  0  0  0
  1  2  1  0  0  0
  1 35  1  0  0  0
  1 36  1  0  0  0
  1 37  1  0  0  0
  2  3  1  0  0  0
  2 38  1  0  0  0
  2 39  1  0  0  0
  3 25  1  0  0  0
  3  4  1  0  0  0
  4  5  1  0  0  0
  4  9  1  0  0  0
  4 40  1  0  0  0
  5  6  1  0  0  0
  5 41  1  0  0  0
  5 42  1  0  0  0
  6  7  1  0  0  0
  6 43  1  0  0  0
  6 44  1  0  0  0
  7  8  1  0  0  0
  7 45  1  0  0  0
  7 46  1  0  0  0
  8 13  1  0  0  0
  8  9  2  0  0  0
  9 10  1  0  0  0
 10 11  2  0  0  0
 10 23  1  0  0  0
 11 12  1  0  0  0
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 14 19  1  0  0  0
 15 16  1  0  0  0
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 16 17  2  0  0  0
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 19 20  1  0  0  0
 20 22  1  0  0  0
 20 21  1  0  0  0
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 21 55  1  0  0  0
 22 56  1  0  0  0
 22 57  1  0  0  0
 22 58  1  0  0  0
 23 24  1  0  0  0
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 24 60  1  0  0  0
 24 61  1  0  0  0
 25 26  2  0  0  0
 25 34  1  0  0  0
 26 27  1  0  0  0
 26 62  1  0  0  0
 27 28  2  0  0  0
 27 63  1  0  0  0
 28 29  1  0  0  0
 28 64  1  0  0  0
 29 30  2  0  0  0
 29 34  1  0  0  0
 30 31  1  0  0  0
 30 65  1  0  0  0
 31 32  2  0  0  0
 31 66  1  0  0  0
 32 33  1  0  0  0
 32 67  1  0  0  0
 33 34  2  0  0  0
 33 68  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL259642

>  <PubChem CID>
25193028

>  <Formula>
C31H34N2O

>  <Molecular Weight>
450.626000

>  <IUPAC Name>
N-ethyl-4-methoxy-N-naphthalen-1-yl-2-(2-propan-2-ylphenyl)-5,6,7,8-tetrahydroquinolin-5-amine

>  <XlogP>
7.7

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CCN(C1CCCC2=C1C(=CC(=N2)C3=CC=CC=C3C(C)C)OC)C4=CC=CC5=CC=CC=C54

>  <Isomeric SMILES>
CCN(C1CCCC2=C1C(=CC(=N2)C3=CC=CC=C3C(C)C)OC)C4=CC=CC5=CC=CC=C54

>  <InChI Std. ID>
InChI=1S/C31H34N2O/c1-5-33(28-18-10-13-22-12-6-7-15-24(22)28)29-19-11-17-26-31(29)30(34-4)20-27(32-26)25-16-9-8-14-23(25)21(2)3/h6-10,12-16,18,20-21,29H,5,11,17,19H2,1-4H3

>  <InChI Key>
DGSPLOHGPZJAPM-UHFFFAOYSA-N

