
 CHEMBL202563

 60 62  0  0  0  0  0  0  0  0999 V2000
    1.1475    1.5973   -0.1104 C   0  0  0  0  0
    2.5796    1.3441   -0.4774 C   0  0  0  0  0
    3.4229    0.6335    0.3826 C   0  0  0  0  0
    4.7695    0.4396    0.0572 C   0  0  0  0  0
    5.2975    0.9518   -1.1338 C   0  0  0  0  0
    4.4552    1.6818   -1.9815 C   0  0  0  0  0
    3.1087    1.8755   -1.6579 C   0  0  0  0  0
    6.7210    0.8381   -1.4749 C   0  0  0  0  0
    7.4981   -0.2199   -1.1894 C   0  0  0  0  0
    8.9491   -0.1675   -1.5283 C   0  0  0  0  0
    9.4607    0.8698   -1.9290 O   0  0  0  0  0
    9.5753   -1.3845   -1.3473 N   0  0  0  0  0
   10.9587   -1.6397   -1.4819 C   0  0  0  0  0
   11.3839   -2.9747   -1.4746 C   0  0  0  0  0
   12.7545   -3.3180   -1.6295 C   0  0  0  0  0
   13.7072   -2.2921   -1.7441 C   0  0  0  0  0
   13.2710   -0.9771   -1.7247 C   0  0  0  0  0
   11.9178   -0.6440   -1.6061 C   0  0  0  0  0
   15.0218   -2.5183   -1.8848 N   0  0  0  0  0
   15.4978   -3.7767   -1.9833 C   0  0  0  0  0
   14.6148   -4.8497   -1.8940 C   0  0  0  0  0
   13.2403   -4.6415   -1.6965 C   0  0  0  0  0
   12.3337   -5.8355   -1.5827 C   0  0  0  0  0
   16.8578   -3.9404   -2.2053 N   0  0  0  0  0
   17.4562   -5.2565   -2.3473 C   0  0  0  0  0
   17.7418   -2.8392   -1.7829 C   0  0  0  0  0
   18.0201   -2.8934   -0.2605 C   0  0  0  0  0
   19.0125   -1.9073    0.2234 N   0  0  0  0  0
   18.4790   -0.5440    0.1466 C   0  0  0  0  0
   19.3789   -2.2135    1.6093 C   0  0  0  0  0
    0.7939    0.8716    0.6290 H   0  0  0  0  0
    0.5025    1.5071   -0.9908 H   0  0  0  0  0
    1.0411    2.6024    0.3093 H   0  0  0  0  0
    3.0423    0.2369    1.3212 H   0  0  0  0  0
    5.4023   -0.0912    0.7641 H   0  0  0  0  0
    4.8410    2.1147   -2.9021 H   0  0  0  0  0
    2.4790    2.4539   -2.3301 H   0  0  0  0  0
    7.1453    1.6989   -1.9928 H   0  0  0  0  0
    7.1144   -1.0979   -0.6896 H   0  0  0  0  0
    8.9910   -2.1858   -1.1526 H   0  0  0  0  0
   10.6451   -3.7650   -1.3789 H   0  0  0  0  0
   14.0054   -0.1802   -1.8203 H   0  0  0  0  0
   11.6588    0.4111   -1.6021 H   0  0  0  0  0
   14.9834   -5.8674   -1.9664 H   0  0  0  0  0
   12.8894   -6.7750   -1.6734 H   0  0  0  0  0
   11.5824   -5.8219   -2.3786 H   0  0  0  0  0
   11.8365   -5.8421   -0.6071 H   0  0  0  0  0
   16.9783   -5.8211   -3.1549 H   0  0  0  0  0
   17.3842   -5.8267   -1.4145 H   0  0  0  0  0
   18.5174   -5.1798   -2.6088 H   0  0  0  0  0
   17.3309   -1.8674   -2.0782 H   0  0  0  0  0
   18.6946   -2.9221   -2.3230 H   0  0  0  0  0
   18.4059   -3.8983   -0.0405 H   0  0  0  0  0
   17.0794   -2.7990    0.2980 H   0  0  0  0  0
   18.3115   -0.2438   -0.8923 H   0  0  0  0  0
   19.1991    0.1736    0.5562 H   0  0  0  0  0
   17.5383   -0.4359    0.6982 H   0  0  0  0  0
   19.8320   -3.2089    1.6764 H   0  0  0  0  0
   18.5152   -2.1807    2.2839 H   0  0  0  0  0
   20.1306   -1.5057    1.9758 H   0  0  0  0  0
  1  2  1  0  0  0
  1 31  1  0  0  0
  1 32  1  0  0  0
  1 33  1  0  0  0
  2  3  2  0  0  0
  2  7  1  0  0  0
  3  4  1  0  0  0
  3 34  1  0  0  0
  4  5  2  0  0  0
  4 35  1  0  0  0
  5  6  1  0  0  0
  5  8  1  0  0  0
  6  7  2  0  0  0
  6 36  1  0  0  0
  7 37  1  0  0  0
  8  9  2  0  0  0
  8 38  1  0  0  0
  9 10  1  0  0  0
  9 39  1  0  0  0
 10 12  1  0  0  0
 10 11  2  0  0  0
 12 13  1  0  0  0
 12 40  1  0  0  0
 13 18  1  0  0  0
 13 14  2  0  0  0
 14 15  1  0  0  0
 14 41  1  0  0  0
 15 16  2  0  0  0
 15 22  1  0  0  0
 16 19  1  0  0  0
 16 17  1  0  0  0
 17 18  2  0  0  0
 17 42  1  0  0  0
 18 43  1  0  0  0
 19 20  2  0  0  0
 20 21  1  0  0  0
 20 24  1  0  0  0
 21 22  2  0  0  0
 21 44  1  0  0  0
 22 23  1  0  0  0
 23 45  1  0  0  0
 23 46  1  0  0  0
 23 47  1  0  0  0
 24 26  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 27  1  0  0  0
 26 51  1  0  0  0
 26 52  1  0  0  0
 27 28  1  0  0  0
 27 53  1  0  0  0
 27 54  1  0  0  0
 28 30  1  0  0  0
 28 29  1  0  0  0
 29 55  1  0  0  0
 29 56  1  0  0  0
 29 57  1  0  0  0
 30 58  1  0  0  0
 30 59  1  0  0  0
 30 60  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL202563

>  <PubChem CID>
44407667

>  <Formula>
C25H30N4O

>  <Molecular Weight>
402.542000

>  <IUPAC Name>
(E)-N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methylquinolin-6-yl]-3-(4-methylphenyl)prop-2-enamide

>  <XlogP>
4.7

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC1=CC=C(C=C1)C=CC(=O)NC2=CC3=C(C=C2)N=C(C=C3C)N(C)CCN(C)C

>  <Isomeric SMILES>
CC1=CC=C(C=C1)/C=C/C(=O)NC2=CC3=C(C=C2)N=C(C=C3C)N(C)CCN(C)C

>  <InChI Std. ID>
InChI=1S/C25H30N4O/c1-18-6-8-20(9-7-18)10-13-25(30)26-21-11-12-23-22(17-21)19(2)16-24(27-23)29(5)15-14-28(3)4/h6-13,16-17H,14-15H2,1-5H3,(H,26,30)/b13-10+

>  <InChI Key>
ACSLJTYYCFGVHX-JLHYYAGUSA-N

