-ISIS-  08251613322D

 20 21  0  0  0  0  0  0  0  0999 V2000
   -0.8667    0.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8667   -1.7583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0042   -0.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0042   -1.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7292   -0.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8667    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7292   -1.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8625    0.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7250   -0.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7292    1.7625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5917    0.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0042    1.7625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8625   -1.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5958    0.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5958   -1.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5583    1.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4542   -0.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8625    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4583   -0.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4583   -1.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  7  1  0  0  0  0
  3  1  2  0  0  0  0
  4  3  1  0  0  0  0
  5  1  1  0  0  0  0
  6  1  1  0  0  0  0
  7  5  2  0  0  0  0
  8  3  1  0  0  0  0
  9  8  1  0  0  0  0
 10  6  2  0  0  0  0
 11  9  2  0  0  0  0
 12  6  1  0  0  0  0
 13  4  1  0  0  0  0
 14  5  1  0  0  0  0
 15  7  1  0  0  0  0
 16 11  1  0  0  0  0
 17 11  1  0  0  0  0
 18 12  1  0  0  0  0
 19 14  2  0  0  0  0
 20 19  1  0  0  0  0
  2  4  2  0  0  0  0
 15 20  2  0  0  0  0
M  END
>  <ID> (STK672656)
STK672656

>  <Rotatable_Bonds> (STK672656)
4

>  <logP> (STK672656)
4.846

>  <PSA> (STK672656)
39.19

>  <H_Donors> (STK672656)
0

>  <H_Acceptors> (STK672656)
2

>  <Number_of_rings> (STK672656)
2

>  <NAME> (STK672656)
methyl 2-methyl-3-(3-methylbut-2-en-1-yl)quinoline-4-carboxylate

>  <Mol_Weight> (STK672656)
269.34

>  <Mol_Formula> (STK672656)
C17H19NO2

>  <Smiles> (STK672656)
COC(=O)c1c(CC=C(C)C)c(C)nc2c1cccc2

$$$$