-ISIS-  08091621332D

 19 20  0  0  0  0  0  0  0  0999 V2000
   -1.3000    0.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1708   -0.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0333    0.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3000    1.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1708   -1.2542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4375   -0.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0333    1.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4250    0.2542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1708    1.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3083   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4375   -1.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0250   -0.2417    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
   -3.8958    1.7417    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.2875   -0.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1625    0.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8917    0.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0250   -1.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1625   -1.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8875    1.2542    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  1  0  0  0  0
  5  2  2  0  0  0  0
  6  1  2  0  0  0  0
  7  9  1  0  0  0  0
  8  6  1  0  0  0  0
  9  4  2  0  0  0  0
 10 11  2  0  0  0  0
 11  6  1  0  0  0  0
 12 15  1  0  0  0  0
 13  7  1  0  0  0  0
 14  8  1  0  0  0  0
 15 14  1  0  0  0  0
 16 12  1  0  0  0  0
 17 12  1  0  0  0  0
 18 17  1  0  0  0  0
 19 16  1  0  0  0  0
  5 10  1  0  0  0  0
  7  3  2  0  0  0  0
M  END
>  <ID> (BBL003254)
BBL003254

>  <Rotatable_Bonds> (BBL003254)
4

>  <logP> (BBL003254)
3.63

>  <PSA> (BBL003254)
28.16

>  <H_Donors> (BBL003254)
1

>  <H_Acceptors> (BBL003254)
0

>  <Number_of_rings> (BBL003254)
2

>  <NAME> (BBL003254)
N'-(7-chloroquinolin-4-yl)-N,N-diethylethane-1,2-diamine

>  <Mol_Weight> (BBL003254)
277.80

>  <Mol_Formula> (BBL003254)
C15H20ClN3

>  <Smiles> (BBL003254)
CCN(CCNc1ccnc2c1ccc(c2)Cl)CC

>  <Alternative_identifier> (BBL003254)
MFCD00953862

$$$$