
 CHEMBL275874

 46 48  0  0  0  0  0  0  0  0999 V2000
    1.6294    1.0494    3.1457 C   0  0  0  0  0
    3.0103    1.5867    2.9209 C   0  0  0  0  0
    3.3770    2.5624    1.9750 C   0  0  0  0  0
    4.7424    3.0419    2.0008 C   0  0  0  0  0
    5.2545    4.0946    1.1892 C   0  0  0  0  0
    6.5919    4.4941    1.2390 C   0  0  0  0  0
    7.4589    3.8630    2.1131 C   0  0  0  0  0
    6.9774    2.8443    2.9327 C   0  0  0  0  0
    5.6521    2.4299    2.8960 C   0  0  0  0  0
    5.3029    1.4575    3.7378 N   0  0  0  0  0
    4.0134    1.0753    3.7448 C   0  0  0  0  0
    2.4770    3.2102    1.0990 N   0  0  0  0  0
    1.2242    2.6308    0.6128 C   0  0  0  0  0
    0.5852    3.6238   -0.3650 C   0  0  0  0  0
   -0.7461    3.1348   -0.9468 C   0  0  0  0  0
   -0.6819    1.8830   -1.7246 N   0  0  0  0  0
    0.2085    2.0005   -2.8923 C   0  0  0  0  0
    0.2577    0.7040   -3.7031 C   0  0  0  0  0
   -1.1330    0.2742   -4.1467 C   0  0  0  0  0
   -2.0648    0.2022   -2.9448 C   0  0  0  0  0
   -2.0458    1.5081   -2.1498 C   0  0  0  0  0
    1.6004    0.3426    3.9834 H   0  0  0  0  0
    1.2775    0.5005    2.2680 H   0  0  0  0  0
    0.9416    1.8582    3.4090 H   0  0  0  0  0
    4.6084    4.6394    0.5075 H   0  0  0  0  0
    6.9461    5.2989    0.6004 H   0  0  0  0  0
    8.5016    4.1619    2.1703 H   0  0  0  0  0
    7.6569    2.3591    3.6306 H   0  0  0  0  0
    3.7933    0.3091    4.4853 H   0  0  0  0  0
    2.9935    3.5716    0.3030 H   0  0  0  0  0
    0.5120    2.4839    1.4255 H   0  0  0  0  0
    1.4239    1.6744    0.1182 H   0  0  0  0  0
    1.2869    3.8808   -1.1668 H   0  0  0  0  0
    0.3963    4.5658    0.1677 H   0  0  0  0  0
   -1.1671    3.9400   -1.5635 H   0  0  0  0  0
   -1.4380    2.9915   -0.1062 H   0  0  0  0  0
    1.2336    2.2099   -2.5689 H   0  0  0  0  0
   -0.1079    2.8284   -3.5400 H   0  0  0  0  0
    0.8997    0.8419   -4.5805 H   0  0  0  0  0
    0.7112   -0.0909   -3.0973 H   0  0  0  0  0
   -1.5254    0.9944   -4.8753 H   0  0  0  0  0
   -1.0861   -0.6988   -4.6476 H   0  0  0  0  0
   -3.0857   -0.0095   -3.2829 H   0  0  0  0  0
   -1.7634   -0.6291   -2.2952 H   0  0  0  0  0
   -2.4934    2.3067   -2.7569 H   0  0  0  0  0
   -2.6839    1.3753   -1.2676 H   0  0  0  0  0
  1  2  1  0  0  0
  1 22  1  0  0  0
  1 23  1  0  0  0
  1 24  1  0  0  0
  2 11  1  0  0  0
  2  3  2  0  0  0
  3  4  1  0  0  0
  3 12  1  0  0  0
  4  9  1  0  0  0
  4  5  2  0  0  0
  5  6  1  0  0  0
  5 25  1  0  0  0
  6  7  2  0  0  0
  6 26  1  0  0  0
  7  8  1  0  0  0
  7 27  1  0  0  0
  8  9  2  0  0  0
  8 28  1  0  0  0
  9 10  1  0  0  0
 10 11  2  0  0  0
 11 29  1  0  0  0
 12 13  1  0  0  0
 12 30  1  0  0  0
 13 14  1  0  0  0
 13 31  1  0  0  0
 13 32  1  0  0  0
 14 15  1  0  0  0
 14 33  1  0  0  0
 14 34  1  0  0  0
 15 16  1  0  0  0
 15 35  1  0  0  0
 15 36  1  0  0  0
 16 21  1  0  0  0
 16 17  1  0  0  0
 17 18  1  0  0  0
 17 37  1  0  0  0
 17 38  1  0  0  0
 18 19  1  0  0  0
 18 39  1  0  0  0
 18 40  1  0  0  0
 19 20  1  0  0  0
 19 41  1  0  0  0
 19 42  1  0  0  0
 20 21  1  0  0  0
 20 43  1  0  0  0
 20 44  1  0  0  0
 21 45  1  0  0  0
 21 46  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL275874

>  <PubChem CID>
44269697

>  <Formula>
C18H25N3

>  <Molecular Weight>
283.419000

>  <IUPAC Name>
3-methyl-N-(3-piperidin-1-ylpropyl)quinolin-4-amine

>  <XlogP>
3.8

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC1=C(C2=CC=CC=C2N=C1)NCCCN3CCCCC3

>  <Isomeric SMILES>
CC1=C(C2=CC=CC=C2N=C1)NCCCN3CCCCC3

>  <InChI Std. ID>
InChI=1S/C18H25N3/c1-15-14-20-17-9-4-3-8-16(17)18(15)19-10-7-13-21-11-5-2-6-12-21/h3-4,8-9,14H,2,5-7,10-13H2,1H3,(H,19,20)

>  <InChI Key>
AEFHCZSZYOUTHK-UHFFFAOYSA-N

