53556368
  -OEChem-05032421182D

 32 34  0     0  0  0  0  0  0999 V2000
    9.8602   -0.2500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.2622   -1.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5301   -1.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5301    0.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3961    1.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6641   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6641   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3961   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2622    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7702   -1.7847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8641   -1.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3961   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7702    0.2847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2622    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8641   -0.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1282   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.7742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1282    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9942    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9942    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5301   -2.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7773   -2.4046    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7773    0.9046    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3284    0.0829    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1282   -0.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6879   -1.2384    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643   -2.0862    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3121   -2.3099    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1282    2.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5312    1.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3961    2.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8592    1.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 19  1  0  0  0  0
  2 12  2  0  0  0  0
  3  6  1  0  0  0  0
  3 12  1  0  0  0  0
  3 21  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5 14  1  0  0  0  0
  5 31  1  0  0  0  0
  5 32  1  0  0  0  0
  6  7  2  0  0  0  0
  6 10  1  0  0  0  0
  7 13  1  0  0  0  0
  8  9  1  0  0  0  0
  8 12  1  0  0  0  0
  9 14  2  0  0  0  0
  9 16  1  0  0  0  0
 10 11  2  0  0  0  0
 10 22  1  0  0  0  0
 11 15  1  0  0  0  0
 11 17  1  0  0  0  0
 13 15  2  0  0  0  0
 13 23  1  0  0  0  0
 14 18  1  0  0  0  0
 15 24  1  0  0  0  0
 16 19  2  0  0  0  0
 16 25  1  0  0  0  0
 17 26  1  0  0  0  0
 17 27  1  0  0  0  0
 17 28  1  0  0  0  0
 18 20  2  0  0  0  0
 18 29  1  0  0  0  0
 19 20  1  0  0  0  0
 20 30  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
53556368

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
425

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzIAAEAAAAAAAAAAAAAAAAAAAAAAAwYIAAAAAAAACBQAAAHgIQAAAADAqBmCAywILAAACoAyVyVACCAAAhBwAIiAEgdpgIYLLBl5GUIAhglADIyAcciICOCABAYAACACAQAIDAAAQAQAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
3-(2-amino-5-chloro-phenyl)-7-methyl-1H-quinoxalin-2-one

> <PUBCHEM_IUPAC_CAS_NAME>
3-(2-amino-5-chlorophenyl)-7-methyl-1H-quinoxalin-2-one

> <PUBCHEM_IUPAC_NAME_MARKUP>
3-(2-amino-5-chlorophenyl)-7-methyl-1<I>H</I>-quinoxalin-2-one

> <PUBCHEM_IUPAC_NAME>
3-(2-amino-5-chlorophenyl)-7-methyl-1H-quinoxalin-2-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
3-(2-azanyl-5-chloranyl-phenyl)-7-methyl-1H-quinoxalin-2-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
3-(2-amino-5-chloro-phenyl)-7-methyl-1H-quinoxalin-2-one

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C15H12ClN3O/c1-8-2-5-12-13(6-8)19-15(20)14(18-12)10-7-9(16)3-4-11(10)17/h2-7H,17H2,1H3,(H,19,20)

> <PUBCHEM_IUPAC_INCHIKEY>
AYVHBGQSRRAPGW-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.7

> <PUBCHEM_EXACT_MASS>
285.0668897

> <PUBCHEM_MOLECULAR_FORMULA>
C15H12ClN3O

> <PUBCHEM_MOLECULAR_WEIGHT>
285.73

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=CC2=C(C=C1)N=C(C(=O)N2)C3=C(C=CC(=C3)Cl)N

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=CC2=C(C=C1)N=C(C(=O)N2)C3=C(C=CC(=C3)Cl)N

> <PUBCHEM_CACTVS_TPSA>
67.5

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
285.0668897

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
20

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <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>
10  11  8
11  15  8
13  15  8
14  18  8
16  19  8
18  20  8
19  20  8
3  12  8
3  6  8
4  7  8
4  8  8
6  10  8
6  7  8
7  13  8
8  12  8
9  14  8
9  16  8

$$$$