72191951
  -OEChem-05142420492D

 35 37  0     1  0  0  0  0  0999 V2000
    6.2740    2.7846    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.7846    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5836    0.0201    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2619   -1.2846    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5298   -1.2846    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.5298   -0.2846    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.3958   -1.7846    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.5836   -1.5894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3958    0.2154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -0.7846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2619   -0.2846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3958   -2.7846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2729    0.9706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3798    1.2569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1719    0.2222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2944    1.1768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2778    1.7846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1799    1.2638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4642   -1.9012    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4642    0.3319    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9328   -2.0946    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0462   -1.8986    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8346   -2.1563    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7988   -1.5946    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7758   -2.7846    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3958   -3.4046    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0158   -2.7846    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8868    1.0580    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2935    1.5903    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8393    1.5607    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7052   -0.0940    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4223    1.7835    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6878    1.3047    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1666    0.5702    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7180    1.5718    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 17  1  0  0  0  0
  2 10  2  0  0  0  0
  3  6  1  0  0  0  0
  3 10  1  0  0  0  0
  3 13  1  0  0  0  0
  4  7  1  0  0  0  0
  4 11  1  0  0  0  0
  4 24  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5 19  1  0  0  0  0
  6  9  1  0  0  0  0
  6 20  1  0  0  0  0
  7 12  1  0  0  0  0
  7 21  1  0  0  0  0
  8 10  1  0  0  0  0
  8 22  1  0  0  0  0
  8 23  1  0  0  0  0
  9 11  2  0  0  0  0
  9 14  1  0  0  0  0
 11 15  1  0  0  0  0
 12 25  1  0  0  0  0
 12 26  1  0  0  0  0
 12 27  1  0  0  0  0
 13 16  1  0  0  0  0
 13 28  1  0  0  0  0
 13 29  1  0  0  0  0
 14 17  2  0  0  0  0
 14 30  1  0  0  0  0
 15 18  2  0  0  0  0
 15 31  1  0  0  0  0
 16 32  1  0  0  0  0
 16 33  1  0  0  0  0
 16 34  1  0  0  0  0
 17 18  1  0  0  0  0
 18 35  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
72191951

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
349

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBzIAAEAAAAAAAAAAAAAAAAAWAAAAA8QAAAAAAAAFixAAAAHgIQAAAADSrBmCQywIPAAACIAiVSUACCAAAhBwAIiIEIZogIIDLB05GEIAhglgDIyAcciMCOAABAIAACAAAAAIBAAAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
8-chloro-1-ethyl-4-methyl-3a,4,5,9b-tetrahydro-3H-pyrrolo[3,2-c]quinolin-2-one

> <PUBCHEM_IUPAC_CAS_NAME>
8-chloro-1-ethyl-4-methyl-3a,4,5,9b-tetrahydro-3H-pyrrolo[3,2-c]quinolin-2-one

> <PUBCHEM_IUPAC_NAME_MARKUP>
8-chloro-1-ethyl-4-methyl-3<I>a</I>,4,5,9<I>b</I>-tetrahydro-3<I>H</I>-pyrrolo[3,2-c]quinolin-2-one

> <PUBCHEM_IUPAC_NAME>
8-chloro-1-ethyl-4-methyl-3a,4,5,9b-tetrahydro-3H-pyrrolo[3,2-c]quinolin-2-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
8-chloranyl-1-ethyl-4-methyl-3a,4,5,9b-tetrahydro-3H-pyrrolo[3,2-c]quinolin-2-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
8-chloro-1-ethyl-4-methyl-3a,4,5,9b-tetrahydro-3H-pyrrolo[3,2-c]quinolin-2-one

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C14H17ClN2O/c1-3-17-13(18)7-10-8(2)16-12-5-4-9(15)6-11(12)14(10)17/h4-6,8,10,14,16H,3,7H2,1-2H3

> <PUBCHEM_IUPAC_INCHIKEY>
MCKDJZCOWQXUKQ-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.4

> <PUBCHEM_EXACT_MASS>
264.1029409

> <PUBCHEM_MOLECULAR_FORMULA>
C14H17ClN2O

> <PUBCHEM_MOLECULAR_WEIGHT>
264.75

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCN1C2C(CC1=O)C(NC3=C2C=C(C=C3)Cl)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCN1C2C(CC1=O)C(NC3=C2C=C(C=C3)Cl)C

> <PUBCHEM_CACTVS_TPSA>
32.3

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
264.1029409

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
18

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
3

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
11  15  8
14  17  8
15  18  8
17  18  8
6  3  3
5  8  3
7  12  3
9  11  8
9  14  8

$$$$