
 CHEMBL520426

 65 68  0  0  0  0  0  0  0  0999 V2000
    1.9136    0.3635    1.9746 C   0  0  0  0  0
    2.2929    0.1507    0.5180 C   0  0  0  0  0
    3.1208    1.2980   -0.0383 C   0  0  0  0  0
    4.5423    1.4327    0.0858 C   0  0  0  0  0
    5.1206    2.6564   -0.3901 C   0  0  0  0  0
    4.3114    3.6631   -0.9616 C   0  0  0  0  0
    2.9433    3.5009   -1.0869 C   0  0  0  0  0
    2.3568    2.3326   -0.6292 C   0  0  0  0  0
    6.5998    2.9988   -0.2906 C   0  0  0  0  0
    6.9130    3.8552    0.9338 C   0  0  0  0  0
    5.3932    0.3866    0.7351 C   0  0  0  0  0
    6.3455    0.8463    1.5746 N   0  0  0  0  0
    7.1318   -0.0245    2.2484 C   0  0  0  0  0
    6.8973   -1.3968    2.2504 C   0  0  0  0  0
    7.6264   -2.2848    3.2434 C   0  0  0  0  0
    9.0892   -1.7991    3.3281 C   0  0  0  0  0
    9.1776   -0.3455    3.7754 C   0  0  0  0  0
    8.3672    0.5776    2.8700 C   0  0  0  0  0
    6.9743   -2.2950    4.5882 N   0  0  0  0  0
    6.0940   -1.2083    5.0152 C   0  0  0  0  0
    6.8928   -3.5024    5.2926 C   0  0  0  0  0
    5.6785   -4.1300    5.6645 C   0  0  0  0  0
    5.6982   -5.2786    6.4858 C   0  0  0  0  0
    6.8976   -5.8427    6.9082 C   0  0  0  0  0
    8.0902   -5.2596    6.5147 C   0  0  0  0  0
    8.0873   -4.1096    5.7245 C   0  0  0  0  0
    9.5857   -5.9396    7.0302 Cl  0  0  0  0  0
    4.3241   -3.6349    5.2288 C   0  0  0  0  0
    5.9861   -1.8803    1.3087 C   0  0  0  0  0
    5.2732   -0.9801    0.5081 C   0  0  0  0  0
    5.8440   -3.2421    1.2367 O   0  0  0  0  0
    5.3835   -3.7720   -0.0012 C   0  0  0  0  0
    1.3028   -0.4739    2.3274 H   0  0  0  0  0
    1.3294    1.2812    2.1006 H   0  0  0  0  0
    2.7990    0.4328    2.6138 H   0  0  0  0  0
    1.3726    0.0525   -0.0743 H   0  0  0  0  0
    2.7731   -0.8175    0.3989 H   0  0  0  0  0
    4.7599    4.5957   -1.3000 H   0  0  0  0  0
    2.3340    4.2900   -1.5178 H   0  0  0  0  0
    1.2747    2.2370   -0.7068 H   0  0  0  0  0
    6.8934    3.5584   -1.1891 H   0  0  0  0  0
    7.2260    2.1023   -0.3185 H   0  0  0  0  0
    7.9867    4.0608    0.9872 H   0  0  0  0  0
    6.6154    3.3692    1.8677 H   0  0  0  0  0
    6.3893    4.8165    0.8902 H   0  0  0  0  0
    7.6583   -3.3102    2.8520 H   0  0  0  0  0
    9.6865   -2.4158    4.0026 H   0  0  0  0  0
    9.5605   -1.8965    2.3398 H   0  0  0  0  0
   10.2249   -0.0204    3.7863 H   0  0  0  0  0
    8.8297   -0.2555    4.8101 H   0  0  0  0  0
    9.0145    0.8850    2.0371 H   0  0  0  0  0
    8.1027    1.4902    3.4158 H   0  0  0  0  0
    6.5820   -0.2360    4.9164 H   0  0  0  0  0
    5.8364   -1.2895    6.0777 H   0  0  0  0  0
    5.1695   -1.1788    4.4299 H   0  0  0  0  0
    4.7649   -5.7442    6.7970 H   0  0  0  0  0
    6.8921   -6.7267    7.5386 H   0  0  0  0  0
    9.0415   -3.6515    5.4962 H   0  0  0  0  0
    3.5675   -4.4228    5.3168 H   0  0  0  0  0
    4.3366   -3.3356    4.1767 H   0  0  0  0  0
    4.0000   -2.8000    5.8574 H   0  0  0  0  0
    4.6045   -1.3314   -0.2647 H   0  0  0  0  0
    5.5074   -4.8587    0.0350 H   0  0  0  0  0
    5.9780   -3.3967   -0.8415 H   0  0  0  0  0
    4.3189   -3.5642   -0.1461 H   0  0  0  0  0
  1  2  1  0  0  0
  1 33  1  0  0  0
  1 34  1  0  0  0
  1 35  1  0  0  0
  2  3  1  0  0  0
  2 36  1  0  0  0
  2 37  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 38  1  0  0  0
  7  8  2  0  0  0
  7 39  1  0  0  0
  8 40  1  0  0  0
  9 10  1  0  0  0
  9 41  1  0  0  0
  9 42  1  0  0  0
 10 43  1  0  0  0
 10 44  1  0  0  0
 10 45  1  0  0  0
 11 12  2  0  0  0
 11 30  1  0  0  0
 12 13  1  0  0  0
 13 18  1  0  0  0
 13 14  2  0  0  0
 14 29  1  0  0  0
 14 15  1  0  0  0
 15 16  1  0  0  0
 15 19  1  0  0  0
 15 46  1  0  0  0
 16 17  1  0  0  0
 16 47  1  0  0  0
 16 48  1  0  0  0
 17 18  1  0  0  0
 17 49  1  0  0  0
 17 50  1  0  0  0
 18 51  1  0  0  0
 18 52  1  0  0  0
 19 21  1  0  0  0
 19 20  1  0  0  0
 20 53  1  0  0  0
 20 54  1  0  0  0
 20 55  1  0  0  0
 21 22  2  0  0  0
 21 26  1  0  0  0
 22 23  1  0  0  0
 22 28  1  0  0  0
 23 24  2  0  0  0
 23 56  1  0  0  0
 24 25  1  0  0  0
 24 57  1  0  0  0
 25 26  2  0  0  0
 25 27  1  0  0  0
 26 58  1  0  0  0
 28 59  1  0  0  0
 28 60  1  0  0  0
 28 61  1  0  0  0
 29 30  2  0  0  0
 29 31  1  0  0  0
 30 62  1  0  0  0
 31 32  1  0  0  0
 32 63  1  0  0  0
 32 64  1  0  0  0
 32 65  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL520426

>  <PubChem CID>
25193175

>  <Formula>
C28H33ClN2O

>  <Molecular Weight>
449.035000

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

>  <XlogP>
7.5

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CCC1=C(C(=CC=C1)CC)C2=NC3=C(C(CCC3)N(C)C4=C(C=CC(=C4)Cl)C)C(=C2)OC

>  <Isomeric SMILES>
CCC1=C(C(=CC=C1)CC)C2=NC3=C(C(CCC3)N(C)C4=C(C=CC(=C4)Cl)C)C(=C2)OC

>  <InChI Std. ID>
InChI=1S/C28H33ClN2O/c1-6-19-10-8-11-20(7-2)27(19)23-17-26(32-5)28-22(30-23)12-9-13-24(28)31(4)25-16-21(29)15-14-18(25)3/h8,10-11,14-17,24H,6-7,9,12-13H2,1-5H3

>  <InChI Key>
DBCGZDRTPLJVQO-UHFFFAOYSA-N

