4134169
  -OEChem-04262404562D

 43 46  0     0  0  0  0  0  0999 V2000
    3.8000    1.1270    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981   -3.3730    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660    2.6270    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321    0.1270    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -3.3730    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -1.3730    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000    3.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    3.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3000    3.9930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660    1.6270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981   -0.3730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981   -1.3730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321   -1.8730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    0.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641   -1.8730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -2.8730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -1.8730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321   -2.8730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301   -0.3730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301   -1.3730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061   -3.4077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061   -1.3384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.8938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.8522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6395    2.5281    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2174    3.3390    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6923    2.5164    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7750    4.3915    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8251    4.3915    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2030    2.9370    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1426    1.0193    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7441    1.7096    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9951   -0.1830    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    0.7470    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641   -2.4930    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -3.9930    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6671   -0.0630    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6671   -1.6830    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9132   -4.0276    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9132   -0.7184    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643   -3.2059    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643   -1.5401    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  2  0  0  0  0
  2 19  2  0  0  0  0
  3  7  1  0  0  0  0
  3 10  1  0  0  0  0
  3 31  1  0  0  0  0
  4 11  1  0  0  0  0
  4 12  1  0  0  0  0
  4 34  1  0  0  0  0
  5 17  1  0  0  0  0
  5 19  1  0  0  0  0
  5 37  1  0  0  0  0
  6 14  2  0  0  0  0
  6 18  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 26  1  0  0  0  0
  8  9  1  0  0  0  0
  8 27  1  0  0  0  0
  8 28  1  0  0  0  0
  9 29  1  0  0  0  0
  9 30  1  0  0  0  0
 10 11  1  0  0  0  0
 11 32  1  0  0  0  0
 11 33  1  0  0  0  0
 12 13  1  0  0  0  0
 12 15  2  0  0  0  0
 13 14  1  0  0  0  0
 13 16  2  0  0  0  0
 14 19  1  0  0  0  0
 15 20  1  0  0  0  0
 15 35  1  0  0  0  0
 16 21  1  0  0  0  0
 16 36  1  0  0  0  0
 17 18  1  0  0  0  0
 17 22  2  0  0  0  0
 18 23  2  0  0  0  0
 20 21  2  0  0  0  0
 20 38  1  0  0  0  0
 21 39  1  0  0  0  0
 22 24  1  0  0  0  0
 22 40  1  0  0  0  0
 23 25  1  0  0  0  0
 23 41  1  0  0  0  0
 24 25  2  0  0  0  0
 24 42  1  0  0  0  0
 25 43  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
4134169

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
558

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
3

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
5

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7sAAAAAAAAAAAAAAAGAAAAAAAAAAwYIAAAAAAAACBQAAAHgAQAAAADCjBmAQwwILAAACoAyVyVACCAAAhAgAIiIGodJgIYLLAlbGUIAhglgDIyAcciICOAAAAAAACACAAAAAAAAQAQAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-cyclopropyl-2-[2-(3-oxo-4H-quinoxalin-2-yl)anilino]acetamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-cyclopropyl-2-[2-(3-oxo-4H-quinoxalin-2-yl)anilino]acetamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-cyclopropyl-2-[2-(3-oxo-4<I>H</I>-quinoxalin-2-yl)anilino]acetamide

> <PUBCHEM_IUPAC_NAME>
N-cyclopropyl-2-[2-(3-oxo-4H-quinoxalin-2-yl)anilino]acetamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-cyclopropyl-2-[[2-(3-oxidanylidene-4H-quinoxalin-2-yl)phenyl]amino]ethanamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-cyclopropyl-2-[2-(3-keto-4H-quinoxalin-2-yl)anilino]acetamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C19H18N4O2/c24-17(21-12-9-10-12)11-20-14-6-2-1-5-13(14)18-19(25)23-16-8-4-3-7-15(16)22-18/h1-8,12,20H,9-11H2,(H,21,24)(H,23,25)

> <PUBCHEM_IUPAC_INCHIKEY>
ZLMBUWODFFEYBD-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.2

> <PUBCHEM_EXACT_MASS>
334.14297583

> <PUBCHEM_MOLECULAR_FORMULA>
C19H18N4O2

> <PUBCHEM_MOLECULAR_WEIGHT>
334.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1CC1NC(=O)CNC2=CC=CC=C2C3=NC4=CC=CC=C4NC3=O

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1CC1NC(=O)CNC2=CC=CC=C2C3=NC4=CC=CC=C4NC3=O

> <PUBCHEM_CACTVS_TPSA>
82.6

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
334.14297583

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
25

> <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>
12  13  8
12  15  8
13  16  8
14  19  8
15  20  8
16  21  8
17  18  8
17  22  8
18  23  8
20  21  8
22  24  8
23  25  8
24  25  8
5  17  8
5  19  8
6  14  8
6  18  8

$$$$