
 CHEMBL2160159

 59 61  0  0  0  0  0  0  0  0999 V2000
    1.6531   -0.5311    1.7039 C   0  0  0  0  0
    2.2151    0.2771    0.5347 C   0  0  0  0  0
    2.8533    1.5436    0.9918 N   0  0  0  0  0
    1.9693    2.7327    0.8982 C   0  0  0  0  0
    1.0143    2.8342    2.0720 C   0  0  0  0  0
    4.1724    1.7031    0.4563 C   0  0  0  0  0
    5.2321    0.8006    0.8196 C   0  0  0  0  0
    5.1272   -0.1915    1.8137 C   0  0  0  0  0
    6.0981   -1.1841    1.9905 C   0  0  0  0  0
    7.2019   -1.1425    1.1444 C   0  0  0  0  0
    7.4320   -0.0800    0.3318 N   0  0  0  0  0
    6.4888    0.8706    0.1757 C   0  0  0  0  0
    6.7341    1.9630   -0.6548 C   0  0  0  0  0
    5.7410    2.8687   -1.0043 C   0  0  0  0  0
    4.4628    2.7137   -0.4802 C   0  0  0  0  0
    7.9806    2.1717   -1.2091 O   0  0  0  0  0
    8.8168    2.8307   -0.2542 C   0  0  0  0  0
    8.1445   -2.2601    0.9400 C   0  0  0  0  0
    7.7183   -3.4714    0.3431 C   0  0  0  0  0
    8.6482   -4.4615   -0.0091 C   0  0  0  0  0
   10.0120   -4.2888    0.2480 C   0  0  0  0  0
   10.4334   -3.1333    0.9094 C   0  0  0  0  0
    9.5162   -2.1223    1.2243 C   0  0  0  0  0
    9.9587   -1.0033    1.8900 O   0  0  0  0  0
   10.8016   -0.2136    1.0500 C   0  0  0  0  0
   11.0017   -5.3457   -0.1435 C   0  0  0  0  0
    6.3752   -3.5983    0.0637 O   0  0  0  0  0
    5.8567   -4.9244    0.0831 C   0  0  0  0  0
    5.8606   -2.2785    2.9850 C   0  0  0  0  0
    0.8098   -1.1412    1.3677 H   0  0  0  0  0
    1.3195    0.0911    2.5355 H   0  0  0  0  0
    2.3996   -1.2272    2.1000 H   0  0  0  0  0
    1.3958    0.5061   -0.1558 H   0  0  0  0  0
    2.8997   -0.3634   -0.0341 H   0  0  0  0  0
    1.4035    2.7205   -0.0466 H   0  0  0  0  0
    2.5495    3.6672    0.9176 H   0  0  0  0  0
    0.3329    1.9852    2.1275 H   0  0  0  0  0
    0.4023    3.7385    1.9768 H   0  0  0  0  0
    1.5709    2.9020    3.0157 H   0  0  0  0  0
    4.2492   -0.1993    2.4539 H   0  0  0  0  0
    5.9572    3.6741   -1.6979 H   0  0  0  0  0
    3.7026    3.4002   -0.8365 H   0  0  0  0  0
    8.7812    2.3654    0.7370 H   0  0  0  0  0
    8.5360    3.8887   -0.1783 H   0  0  0  0  0
    9.8471    2.7785   -0.6128 H   0  0  0  0  0
    8.3277   -5.3635   -0.5228 H   0  0  0  0  0
   11.4813   -3.0058    1.1646 H   0  0  0  0  0
   10.4363   -0.1633    0.0181 H   0  0  0  0  0
   11.8256   -0.5993    1.0722 H   0  0  0  0  0
   10.8172    0.8031    1.4538 H   0  0  0  0  0
   11.9439   -4.8886   -0.4688 H   0  0  0  0  0
   10.6288   -5.9408   -0.9831 H   0  0  0  0  0
   11.1985   -6.0105    0.7007 H   0  0  0  0  0
    6.0855   -5.4424   -0.8534 H   0  0  0  0  0
    4.7686   -4.8555    0.1687 H   0  0  0  0  0
    6.2223   -5.4923    0.9468 H   0  0  0  0  0
    6.7942   -2.7558    3.2981 H   0  0  0  0  0
    5.1963   -3.0388    2.5618 H   0  0  0  0  0
    5.3946   -1.8756    3.8907 H   0  0  0  0  0
  1  2  1  0  0  0
  1 30  1  0  0  0
  1 31  1  0  0  0
  1 32  1  0  0  0
  2  3  1  0  0  0
  2 33  1  0  0  0
  2 34  1  0  0  0
  3  6  1  0  0  0
  3  4  1  0  0  0
  4  5  1  0  0  0
  4 35  1  0  0  0
  4 36  1  0  0  0
  5 37  1  0  0  0
  5 38  1  0  0  0
  5 39  1  0  0  0
  6 15  1  0  0  0
  6  7  2  0  0  0
  7 12  1  0  0  0
  7  8  1  0  0  0
  8  9  2  0  0  0
  8 40  1  0  0  0
  9 10  1  0  0  0
  9 29  1  0  0  0
 10 11  2  0  0  0
 10 18  1  0  0  0
 11 12  1  0  0  0
 12 13  2  0  0  0
 13 14  1  0  0  0
 13 16  1  0  0  0
 14 15  2  0  0  0
 14 41  1  0  0  0
 15 42  1  0  0  0
 16 17  1  0  0  0
 17 43  1  0  0  0
 17 44  1  0  0  0
 17 45  1  0  0  0
 18 23  1  0  0  0
 18 19  2  0  0  0
 19 20  1  0  0  0
 19 27  1  0  0  0
 20 21  2  0  0  0
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 21 22  1  0  0  0
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 22 23  2  0  0  0
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 23 24  1  0  0  0
 24 25  1  0  0  0
 25 48  1  0  0  0
 25 49  1  0  0  0
 25 50  1  0  0  0
 26 51  1  0  0  0
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 27 28  1  0  0  0
 28 54  1  0  0  0
 28 55  1  0  0  0
 28 56  1  0  0  0
 29 57  1  0  0  0
 29 58  1  0  0  0
 29 59  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL2160159

>  <PubChem CID>
71456848

>  <Formula>
C24H30N2O3

>  <Molecular Weight>
394.515000

>  <IUPAC Name>
2-(2,6-dimethoxy-4-methylphenyl)-N,N-diethyl-8-methoxy-3-methylquinolin-5-amine

>  <XlogP>
5.4

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CCN(CC)C1=C2C=C(C(=NC2=C(C=C1)OC)C3=C(C=C(C=C3OC)C)OC)C

>  <Isomeric SMILES>
CCN(CC)C1=C2C=C(C(=NC2=C(C=C1)OC)C3=C(C=C(C=C3OC)C)OC)C

>  <InChI Std. ID>
InChI=1S/C24H30N2O3/c1-8-26(9-2)18-10-11-19(27-5)24-17(18)14-16(4)23(25-24)22-20(28-6)12-15(3)13-21(22)29-7/h10-14H,8-9H2,1-7H3

>  <InChI Key>
AWUIPMWQBCSXND-UHFFFAOYSA-N

