-ISIS-  08251614012D

 27 30  0  0  0  0  0  0  0  0999 V2000
    0.0000   -0.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8667   -0.4792    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.7333   -0.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8625   -0.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7333   -1.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8667   -2.4833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8667    0.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7292   -0.9958    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
   -2.5958   -0.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8792    0.5167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7333    1.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5958    0.5167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4583   -2.0125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5958   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7333    2.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8625   -2.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7208   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5917   -0.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5875    2.5083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4625   -0.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4625   -1.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4583   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5792   -2.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8667    2.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  1  2  0  0  0  0
  5  1  1  0  0  0  0
  6  7  1  0  0  0  0
  7  4  1  0  0  0  0
  8  2  1  0  0  0  0
  9  5  1  0  0  0  0
 10  3  1  0  0  0  0
 11  5  2  0  0  0  0
 12  8  1  0  0  0  0
 13 10  2  0  0  0  0
 14 25  1  0  0  0  0
 15  6  1  0  0  0  0
 16 12  2  0  0  0  0
 17  4  1  0  0  0  0
 18  8  2  0  0  0  0
 19  9  1  0  0  0  0
 20  9  1  0  0  0  0
 21 16  1  0  0  0  0
 22 10  1  0  0  0  0
 23 15  1  0  0  0  0
 24 18  1  0  0  0  0
 25 20  1  0  0  0  0
 26 19  1  0  0  0  0
 27 24  2  0  0  0  0
  3  6  2  0  0  0  0
 14 26  1  0  0  0  0
 22 23  1  0  0  0  0
 27 16  1  0  0  0  0
M  END
>  <ID> (STK404013)
STK404013

>  <Rotatable_Bonds> (STK404013)
3

>  <logP> (STK404013)
-0.075

>  <PSA> (STK404013)
78.87

>  <H_Donors> (STK404013)
2

>  <H_Acceptors> (STK404013)
4

>  <Number_of_rings> (STK404013)
4

>  <NAME> (STK404013)
4-(3-hydroxyphenyl)-2-methyl-3-(morpholin-4-ylcarbonyl)-4,6,7,8-tetrahydroquinolin-5(1H)-one

>  <Mol_Weight> (STK404013)
368.43

>  <Mol_Formula> (STK404013)
C21H24N2O4

>  <Smiles> (STK404013)
Oc1cccc(c1)C1C(=C(C)NC2=C1C(=O)CCC2)C(=O)N1CCOCC1

$$$$