
 CHEMBL479540

 65 68  0  0  0  0  0  0  0  0999 V2000
    2.1998   -1.7280   -1.0697 C   0  0  0  0  0
    3.5002   -1.9061   -1.8509 C   0  0  0  0  0
    3.9721   -0.6262   -2.5250 C   0  0  0  0  0
    5.2117    0.0345   -2.2408 C   0  0  0  0  0
    5.5630    1.1420   -3.0840 C   0  0  0  0  0
    4.6705    1.5966   -4.0770 C   0  0  0  0  0
    3.4545    0.9738   -4.2988 C   0  0  0  0  0
    3.1214   -0.1381   -3.5431 C   0  0  0  0  0
    6.8621    1.9278   -2.9925 C   0  0  0  0  0
    6.7909    3.0721   -1.9967 C   0  0  0  0  0
    6.0911   -0.3771   -1.1017 C   0  0  0  0  0
    7.4197   -0.4293   -1.3507 N   0  0  0  0  0
    8.2824   -0.6241   -0.3249 C   0  0  0  0  0
    7.8669   -0.8656    0.9828 C   0  0  0  0  0
    8.9057   -0.9858    2.0769 C   0  0  0  0  0
   10.1007   -1.7874    1.5395 C   0  0  0  0  0
   10.7057   -1.2127    0.2533 C   0  0  0  0  0
    9.7428   -0.3982   -0.6145 C   0  0  0  0  0
    9.3662    0.3542    2.4631 N   0  0  0  0  0
    9.3534    0.8234    3.7793 C   0  0  0  0  0
    9.3624   -0.0350    4.8890 C   0  0  0  0  0
    9.3831    0.4544    6.1997 C   0  0  0  0  0
    9.4306    1.8214    6.4328 C   0  0  0  0  0
    9.4903    2.6955    5.3533 C   0  0  0  0  0
    9.4830    2.2130    4.0288 C   0  0  0  0  0
    9.6101    3.2354    2.9171 C   0  0  0  0  0
    8.2580    3.6990    2.3956 C   0  0  0  0  0
    6.4941   -0.9297    1.2169 C   0  0  0  0  0
    5.6061   -0.6202    0.1837 C   0  0  0  0  0
    6.0922   -1.2408    2.4897 O   0  0  0  0  0
    4.8509   -1.9353    2.5888 C   0  0  0  0  0
    1.9384   -2.6582   -0.5549 H   0  0  0  0  0
    1.3626   -1.4764   -1.7296 H   0  0  0  0  0
    2.2821   -0.9328   -0.3223 H   0  0  0  0  0
    3.3437   -2.6615   -2.6326 H   0  0  0  0  0
    4.2625   -2.3373   -1.1990 H   0  0  0  0  0
    4.9314    2.4551   -4.6953 H   0  0  0  0  0
    2.7835    1.3372   -5.0706 H   0  0  0  0  0
    2.1825   -0.6423   -3.7634 H   0  0  0  0  0
    7.0911    2.3456   -3.9831 H   0  0  0  0  0
    7.7240    1.2892   -2.7942 H   0  0  0  0  0
    7.7316    3.6323   -2.0036 H   0  0  0  0  0
    6.6152    2.7121   -0.9788 H   0  0  0  0  0
    5.9857    3.7682   -2.2556 H   0  0  0  0  0
    8.4800   -1.5468    2.9142 H   0  0  0  0  0
   10.8854   -1.8699    2.3020 H   0  0  0  0  0
    9.7690   -2.8136    1.3292 H   0  0  0  0  0
   11.1175   -2.0402   -0.3379 H   0  0  0  0  0
   11.5666   -0.5791    0.5039 H   0  0  0  0  0
    9.9508   -0.5917   -1.6732 H   0  0  0  0  0
    9.9399    0.6711   -0.4560 H   0  0  0  0  0
    9.0218    1.0634    1.8233 H   0  0  0  0  0
    9.3572   -1.1128    4.7640 H   0  0  0  0  0
    9.3687   -0.2394    7.0359 H   0  0  0  0  0
    9.4432    2.2060    7.4484 H   0  0  0  0  0
    9.5562    3.7644    5.5445 H   0  0  0  0  0
   10.2191    2.8358    2.0976 H   0  0  0  0  0
   10.1694    4.1054    3.2852 H   0  0  0  0  0
    7.6992    2.8777    1.9359 H   0  0  0  0  0
    8.3944    4.4783    1.6388 H   0  0  0  0  0
    7.6427    4.1131    3.2013 H   0  0  0  0  0
    4.5458   -0.5360    0.3796 H   0  0  0  0  0
    4.8123   -2.4138    3.5725 H   0  0  0  0  0
    4.7594   -2.7249    1.8337 H   0  0  0  0  0
    4.0142   -1.2336    2.5232 H   0  0  0  0  0
  1  2  1  0  0  0
  1 32  1  0  0  0
  1 33  1  0  0  0
  1 34  1  0  0  0
  2  3  1  0  0  0
  2 35  1  0  0  0
  2 36  1  0  0  0
  3  4  2  0  0  0
  3  8  1  0  0  0
  4  5  1  0  0  0
  4 11  1  0  0  0
  5  6  2  0  0  0
  5  9  1  0  0  0
  6  7  1  0  0  0
  6 37  1  0  0  0
  7  8  2  0  0  0
  7 38  1  0  0  0
  8 39  1  0  0  0
  9 10  1  0  0  0
  9 40  1  0  0  0
  9 41  1  0  0  0
 10 42  1  0  0  0
 10 43  1  0  0  0
 10 44  1  0  0  0
 11 12  2  0  0  0
 11 29  1  0  0  0
 12 13  1  0  0  0
 13 18  1  0  0  0
 13 14  2  0  0  0
 14 28  1  0  0  0
 14 15  1  0  0  0
 15 16  1  0  0  0
 15 19  1  0  0  0
 15 45  1  0  0  0
 16 17  1  0  0  0
 16 46  1  0  0  0
 16 47  1  0  0  0
 17 18  1  0  0  0
 17 48  1  0  0  0
 17 49  1  0  0  0
 18 50  1  0  0  0
 18 51  1  0  0  0
 19 20  1  0  0  0
 19 52  1  0  0  0
 20 21  2  0  0  0
 20 25  1  0  0  0
 21 22  1  0  0  0
 21 53  1  0  0  0
 22 23  2  0  0  0
 22 54  1  0  0  0
 23 24  1  0  0  0
 23 55  1  0  0  0
 24 25  2  0  0  0
 24 56  1  0  0  0
 25 26  1  0  0  0
 26 27  1  0  0  0
 26 57  1  0  0  0
 26 58  1  0  0  0
 27 59  1  0  0  0
 27 60  1  0  0  0
 27 61  1  0  0  0
 28 29  2  0  0  0
 28 30  1  0  0  0
 29 62  1  0  0  0
 30 31  1  0  0  0
 31 63  1  0  0  0
 31 64  1  0  0  0
 31 65  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL479540

>  <PubChem CID>
25192635

>  <Formula>
C28H34N2O

>  <Molecular Weight>
414.593000

>  <IUPAC Name>
2-(2,6-diethylphenyl)-N-(2-ethylphenyl)-4-methoxy-5,6,7,8-tetrahydroquinolin-5-amine

>  <XlogP>
7.2

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CCC1=C(C(=CC=C1)CC)C2=NC3=C(C(CCC3)NC4=CC=CC=C4CC)C(=C2)OC

>  <Isomeric SMILES>
CCC1=C(C(=CC=C1)CC)C2=NC3=C(C(CCC3)NC4=CC=CC=C4CC)C(=C2)OC

>  <InChI Std. ID>
InChI=1S/C28H34N2O/c1-5-19-12-8-9-15-22(19)29-23-16-11-17-24-28(23)26(31-4)18-25(30-24)27-20(6-2)13-10-14-21(27)7-3/h8-10,12-15,18,23,29H,5-7,11,16-17H2,1-4H3

>  <InChI Key>
APBBOOMZHRZQBM-UHFFFAOYSA-N

