
 CHEMBL140153

 42 43  0  0  0  0  0  0  0  0999 V2000
    3.0842   -1.1118   -0.9666 C   0  0  0  0  0
    2.7145   -0.2790    0.2569 C   0  0  0  0  0
    3.1694    1.1219    0.1762 N   0  0  0  0  0
    2.4961    1.9468    1.1987 C   0  0  0  0  0
    2.7753    1.5906    2.6574 C   0  0  0  0  0
    4.6439    1.2227    0.2198 C   0  0  0  0  0
    5.2123    2.6564    0.0935 C   0  0  0  0  0
    6.6762    2.6807    0.0197 N   0  0  0  0  0
    7.3070    2.4660   -1.2772 C   0  0  0  0  0
    8.7298    3.0162   -1.3129 C   0  0  0  0  0
    9.5147    2.4911   -0.1430 C   0  0  0  0  0
   10.9029    2.3071   -0.2283 C   0  0  0  0  0
   11.6345    1.8273    0.8658 C   0  0  0  0  0
   10.9640    1.6400    2.0890 C   0  0  0  0  0
    9.5869    1.8329    2.1925 C   0  0  0  0  0
    8.8606    2.2505    1.0740 C   0  0  0  0  0
    7.3895    2.4476    1.1957 C   0  0  0  0  0
    6.8594    2.3806    2.3019 O   0  0  0  0  0
   11.8292    1.1237    3.4958 Cl  0  0  0  0  0
   13.0368    1.7617    0.7718 N   0  0  0  0  0
    2.5802   -2.0831   -0.9189 H   0  0  0  0  0
    4.1593   -1.3074   -1.0181 H   0  0  0  0  0
    2.7726   -0.6175   -1.8923 H   0  0  0  0  0
    3.1016   -0.7737    1.1560 H   0  0  0  0  0
    1.6194   -0.2959    0.3281 H   0  0  0  0  0
    1.4122    1.8928    1.0322 H   0  0  0  0  0
    2.7375    3.0034    1.0367 H   0  0  0  0  0
    2.4013    0.5929    2.9071 H   0  0  0  0  0
    2.2660    2.3030    3.3151 H   0  0  0  0  0
    3.8422    1.6316    2.8940 H   0  0  0  0  0
    5.0570    0.6554   -0.6220 H   0  0  0  0  0
    5.0369    0.7460    1.1259 H   0  0  0  0  0
    4.9238    3.2536    0.9654 H   0  0  0  0  0
    4.8116    3.1585   -0.7945 H   0  0  0  0  0
    6.7098    2.9588   -2.0521 H   0  0  0  0  0
    7.3057    1.3868   -1.4720 H   0  0  0  0  0
    8.7148    4.1116   -1.2552 H   0  0  0  0  0
    9.2040    2.7332   -2.2593 H   0  0  0  0  0
   11.4204    2.5431   -1.1558 H   0  0  0  0  0
    9.0802    1.6654    3.1402 H   0  0  0  0  0
   13.3851    1.5207   -0.1500 H   0  0  0  0  0
   13.4490    1.1907    1.5084 H   0  0  0  0  0
  1  2  1  0  0  0
  1 21  1  0  0  0
  1 22  1  0  0  0
  1 23  1  0  0  0
  2  3  1  0  0  0
  2 24  1  0  0  0
  2 25  1  0  0  0
  3  6  1  0  0  0
  3  4  1  0  0  0
  4  5  1  0  0  0
  4 26  1  0  0  0
  4 27  1  0  0  0
  5 28  1  0  0  0
  5 29  1  0  0  0
  5 30  1  0  0  0
  6  7  1  0  0  0
  6 31  1  0  0  0
  6 32  1  0  0  0
  7  8  1  0  0  0
  7 33  1  0  0  0
  7 34  1  0  0  0
  8  9  1  0  0  0
  8 17  1  0  0  0
  9 10  1  0  0  0
  9 35  1  0  0  0
  9 36  1  0  0  0
 10 11  1  0  0  0
 10 37  1  0  0  0
 10 38  1  0  0  0
 11 12  2  0  0  0
 11 16  1  0  0  0
 12 13  1  0  0  0
 12 39  1  0  0  0
 13 14  2  0  0  0
 13 20  1  0  0  0
 14 15  1  0  0  0
 14 19  1  0  0  0
 15 16  2  0  0  0
 15 40  1  0  0  0
 16 17  1  0  0  0
 17 18  2  0  0  0
 20 41  1  0  0  0
 20 42  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL140153

>  <PubChem CID>
15681439

>  <Formula>
C15H22ClN3O

>  <Molecular Weight>
295.811000

>  <IUPAC Name>
6-amino-7-chloro-2-[2-(diethylamino)ethyl]-3,4-dihydroisoquinolin-1-one

>  <XlogP>
2.1

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CCN(CC)CCN1CCC2=CC(=C(C=C2C1=O)Cl)N

>  <Isomeric SMILES>
CCN(CC)CCN1CCC2=CC(=C(C=C2C1=O)Cl)N

>  <InChI Std. ID>
InChI=1S/C15H22ClN3O/c1-3-18(4-2)7-8-19-6-5-11-9-14(17)13(16)10-12(11)15(19)20/h9-10H,3-8,17H2,1-2H3

>  <InChI Key>
DKSYICLASPUIME-UHFFFAOYSA-N

