-ISIS-  08251614012D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -0.4292   -1.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4292   -0.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4375    0.0083    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.4375   -1.9958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4375    1.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3125   -1.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2792   -1.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3125   -0.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2792    0.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3000    1.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4167    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1750   -1.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1792   -1.9958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1500   -0.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3000    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4292    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4375    3.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2958    2.9917    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.1667    1.0125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2667   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0333   -2.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0292    1.5000    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  3  1  0  0  0  0
  6  4  1  0  0  0  0
  7  1  1  0  0  0  0
  8  6  1  0  0  0  0
  9  2  1  0  0  0  0
 10  5  2  0  0  0  0
 11  5  1  0  0  0  0
 12  7  2  0  0  0  0
 13  6  2  0  0  0  0
 14 12  1  0  0  0  0
 15 10  1  0  0  0  0
 16 11  2  0  0  0  0
 17 16  1  0  0  0  0
 18 16  1  0  0  0  0
 19 10  1  0  0  0  0
 20  7  1  0  0  0  0
 21 12  1  0  0  0  0
 22 19  1  0  0  0  0
  9 14  2  0  0  0  0
  8  3  1  0  0  0  0
 15 17  2  0  0  0  0
M  END
>  <ID> (STK405906)
STK405906

>  <Rotatable_Bonds> (STK405906)
2

>  <logP> (STK405906)
4.589

>  <PSA> (STK405906)
38.33

>  <H_Donors> (STK405906)
1

>  <H_Acceptors> (STK405906)
2

>  <Number_of_rings> (STK405906)
3

>  <NAME> (STK405906)
4-(5-bromo-2-methoxyphenyl)-7,8-dimethyl-3,4-dihydroquinolin-2(1H)-one

>  <Mol_Weight> (STK405906)
360.25

>  <Mol_Formula> (STK405906)
C18H18BrNO2

>  <Smiles> (STK405906)
COc1ccc(cc1C1CC(=O)Nc2c1ccc(c2C)C)Br

$$$$