-ISIS-  08251614502D

 16 17  0  0  0  0  0  0  0  0999 V2000
    1.7250    0.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8583    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5875    0.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8667   -1.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7250   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8667    0.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5833    1.5125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8583    1.5042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8667   -1.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7292   -0.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4583    0.0167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7333   -1.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5958    0.4958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4625   -0.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  7  5  1  0  0  0  0
  8  3  2  0  0  0  0
  9  4  2  0  0  0  0
 10  2  1  0  0  0  0
 11  7  2  0  0  0  0
 12  8  1  0  0  0  0
 13  4  1  0  0  0  0
 14 11  1  0  0  0  0
 15 12  1  0  0  0  0
 16 15  1  0  0  0  0
  3  7  1  0  0  0  0
 12 14  2  0  0  0  0
M  END
>  <ID> (STK694435)
STK694435

>  <Rotatable_Bonds> (STK694435)
3

>  <logP> (STK694435)
2.411

>  <PSA> (STK694435)
85.44

>  <H_Donors> (STK694435)
3

>  <H_Acceptors> (STK694435)
3

>  <Number_of_rings> (STK694435)
2

>  <NAME> (STK694435)
4-amino-6-methoxyquinoline-3-carboxylic acid

>  <Mol_Weight> (STK694435)
218.21

>  <Mol_Formula> (STK694435)
C11H10N2O3

>  <Smiles> (STK694435)
COc1ccc2c(c1)c(N)c(cn2)C(=O)O

$$$$