
 CHEMBL261277

 72 76  0  0  0  0  0  0  0  0999 V2000
    1.1916    0.2763    0.4068 C   0  0  0  0  0
    2.5356    0.0443   -0.2945 C   0  0  0  0  0
    3.3373    1.2867   -0.6727 C   0  0  0  0  0
    4.7472    1.4745   -0.4406 C   0  0  0  0  0
    5.3134    2.7284   -0.8627 C   0  0  0  0  0
    4.5137    3.7000   -1.5050 C   0  0  0  0  0
    3.1752    3.4779   -1.7585 C   0  0  0  0  0
    2.6022    2.2811   -1.3625 C   0  0  0  0  0
    6.7776    3.1204   -0.7220 C   0  0  0  0  0
    7.6261    2.5849   -1.8640 C   0  0  0  0  0
    5.5936    0.4505    0.2609 C   0  0  0  0  0
    6.4940    0.9369    1.1404 N   0  0  0  0  0
    7.1883    0.0996    1.9494 C   0  0  0  0  0
    6.9309   -1.2621    2.0042 C   0  0  0  0  0
    7.4957   -2.0932    3.1356 C   0  0  0  0  0
    8.8941   -1.6072    3.5530 C   0  0  0  0  0
    8.9871   -0.1024    3.7807 C   0  0  0  0  0
    8.3485    0.7253    2.6720 C   0  0  0  0  0
    6.5305   -2.2783    4.2820 N   0  0  0  0  0
    6.5938   -3.6045    4.9038 C   0  0  0  0  0
    6.2934   -1.2232    5.1970 C   0  0  0  0  0
    6.9943   -1.1596    6.4183 C   0  0  0  0  0
    6.8276   -0.0911    7.3005 C   0  0  0  0  0
    5.9622    0.9508    6.9803 C   0  0  0  0  0
    5.2531    0.9546    5.7648 C   0  0  0  0  0
    4.4523    2.0506    5.3665 C   0  0  0  0  0
    3.6965    2.0135    4.2010 C   0  0  0  0  0
    3.7028    0.8634    3.4367 C   0  0  0  0  0
    4.4963   -0.2220    3.7995 C   0  0  0  0  0
    5.3571   -0.1800    4.9122 C   0  0  0  0  0
    5.8822    1.9729    7.8959 O   0  0  0  0  0
    4.6029    2.0208    8.5356 C   0  0  0  0  0
    6.1037   -1.7880    1.0001 C   0  0  0  0  0
    5.4842   -0.9241    0.0867 C   0  0  0  0  0
    5.9609   -3.1537    0.9909 O   0  0  0  0  0
    5.0255   -3.7106    0.0758 C   0  0  0  0  0
    0.5969   -0.6441    0.3731 H   0  0  0  0  0
    0.5887    1.0740   -0.0330 H   0  0  0  0  0
    1.3349    0.5258    1.4615 H   0  0  0  0  0
    2.3555   -0.5153   -1.2216 H   0  0  0  0  0
    3.0878   -0.6154    0.3727 H   0  0  0  0  0
    4.9513    4.6450   -1.8227 H   0  0  0  0  0
    2.5794    4.2319   -2.2646 H   0  0  0  0  0
    1.5528    2.1285   -1.6037 H   0  0  0  0  0
    7.2024    2.8453    0.2429 H   0  0  0  0  0
    6.8582    4.2165   -0.7195 H   0  0  0  0  0
    8.6694    2.8889   -1.7312 H   0  0  0  0  0
    7.2821    2.9803   -2.8260 H   0  0  0  0  0
    7.5927    1.4928   -1.9153 H   0  0  0  0  0
    7.6735   -3.0956    2.7206 H   0  0  0  0  0
    9.2475   -2.1432    4.4413 H   0  0  0  0  0
    9.5970   -1.8605    2.7458 H   0  0  0  0  0
   10.0418    0.1835    3.8835 H   0  0  0  0  0
    8.5310    0.1717    4.7324 H   0  0  0  0  0
    9.1170    0.9227    1.9121 H   0  0  0  0  0
    8.0479    1.7000    3.0742 H   0  0  0  0  0
    6.4031   -4.3782    4.1523 H   0  0  0  0  0
    5.8276   -3.7234    5.6795 H   0  0  0  0  0
    7.5787   -3.7999    5.3430 H   0  0  0  0  0
    7.7163   -1.9271    6.6810 H   0  0  0  0  0
    7.3893   -0.0613    8.2303 H   0  0  0  0  0
    4.4331    2.9614    5.9583 H   0  0  0  0  0
    3.1085    2.8733    3.8983 H   0  0  0  0  0
    3.1245    0.8214    2.5233 H   0  0  0  0  0
    4.4665   -1.1125    3.1789 H   0  0  0  0  0
    4.7639    2.0371    9.6173 H   0  0  0  0  0
    3.9515    1.1711    8.2982 H   0  0  0  0  0
    4.1007    2.9534    8.2587 H   0  0  0  0  0
    4.8663   -1.3023   -0.7169 H   0  0  0  0  0
    4.9879   -4.7903    0.2509 H   0  0  0  0  0
    5.3478   -3.5538   -0.9589 H   0  0  0  0  0
    4.0191   -3.3120    0.2428 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  3  1  0  0  0
  2 40  1  0  0  0
  2 41  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 42  1  0  0  0
  7  8  2  0  0  0
  7 43  1  0  0  0
  8 44  1  0  0  0
  9 10  1  0  0  0
  9 45  1  0  0  0
  9 46  1  0  0  0
 10 47  1  0  0  0
 10 48  1  0  0  0
 10 49  1  0  0  0
 11 12  2  0  0  0
 11 34  1  0  0  0
 12 13  1  0  0  0
 13 18  1  0  0  0
 13 14  2  0  0  0
 14 33  1  0  0  0
 14 15  1  0  0  0
 15 16  1  0  0  0
 15 19  1  0  0  0
 15 50  1  0  0  0
 16 17  1  0  0  0
 16 51  1  0  0  0
 16 52  1  0  0  0
 17 18  1  0  0  0
 17 53  1  0  0  0
 17 54  1  0  0  0
 18 55  1  0  0  0
 18 56  1  0  0  0
 19 21  1  0  0  0
 19 20  1  0  0  0
 20 57  1  0  0  0
 20 58  1  0  0  0
 20 59  1  0  0  0
 21 22  2  0  0  0
 21 30  1  0  0  0
 22 23  1  0  0  0
 22 60  1  0  0  0
 23 24  2  0  0  0
 23 61  1  0  0  0
 24 25  1  0  0  0
 24 31  1  0  0  0
 25 26  2  0  0  0
 25 30  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 65  1  0  0  0
 31 32  1  0  0  0
 32 66  1  0  0  0
 32 67  1  0  0  0
 32 68  1  0  0  0
 33 34  2  0  0  0
 33 35  1  0  0  0
 34 69  1  0  0  0
 35 36  1  0  0  0
 36 70  1  0  0  0
 36 71  1  0  0  0
 36 72  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL261277

>  <PubChem CID>
25192491

>  <Formula>
C32H36N2O2

>  <Molecular Weight>
480.652000

>  <IUPAC Name>
2-(2,6-diethylphenyl)-4-methoxy-N-(4-methoxynaphthalen-1-yl)-N-methyl-5,6,7,8-tetrahydroquinolin-5-amine

>  <XlogP>
7.7

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CCC1=C(C(=CC=C1)CC)C2=NC3=C(C(CCC3)N(C)C4=CC=C(C5=CC=CC=C54)OC)C(=C2)OC

>  <Isomeric SMILES>
CCC1=C(C(=CC=C1)CC)C2=NC3=C(C(CCC3)N(C)C4=CC=C(C5=CC=CC=C54)OC)C(=C2)OC

>  <InChI Std. ID>
InChI=1S/C32H36N2O2/c1-6-21-12-10-13-22(7-2)31(21)26-20-30(36-5)32-25(33-26)16-11-17-28(32)34(3)27-18-19-29(35-4)24-15-9-8-14-23(24)27/h8-10,12-15,18-20,28H,6-7,11,16-17H2,1-5H3

>  <InChI Key>
CIGDMCHLABXMIY-UHFFFAOYSA-N

