58024712
  -OEChem-05082415162D

 33 35  0     0  0  0  0  0  0999 V2000
    6.3981    1.6550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660    1.6550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981   -1.3450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    0.1550    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -1.3450    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962    0.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4962   -0.7110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9962    0.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301    0.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    0.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321    0.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660    0.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000    0.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -0.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321   -0.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061    0.6897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061   -1.3797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.1758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.8658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1566    0.7539    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0212   -1.1096    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9711   -1.1096    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5788   -0.0571    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1038    0.7656    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5287    1.1300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7316    1.1300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641   -0.4650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -1.9650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9132    1.3096    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9132   -1.9996    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643    0.4879    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643   -1.1779    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1291    1.9650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  2  0  0  0  0
  2 12  1  0  0  0  0
  2 33  1  0  0  0  0
  3 15  2  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  4 27  1  0  0  0  0
  5 14  1  0  0  0  0
  5 15  1  0  0  0  0
  5 28  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  6 20  1  0  0  0  0
  7  8  1  0  0  0  0
  7 21  1  0  0  0  0
  7 22  1  0  0  0  0
  8 23  1  0  0  0  0
  8 24  1  0  0  0  0
  9 25  1  0  0  0  0
  9 26  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 15  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 16  2  0  0  0  0
 14 17  2  0  0  0  0
 16 18  1  0  0  0  0
 16 29  1  0  0  0  0
 17 19  1  0  0  0  0
 17 30  1  0  0  0  0
 18 19  2  0  0  0  0
 18 31  1  0  0  0  0
 19 32  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
58024712

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
440

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
3

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzMAAAAAAAAAAAAAAAGAAAAAAAAAAwQAAAAAAAAACBAAAAHgAQCAAADQzBmAQwwILAAgCIAiVSUACCAAAhIgAIiIEIbMgIJirI0ZGEcAhm1gHI2QeQwCAOAAAAAAACAAAAAAAAAAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-(cyclopropylmethyl)-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-(cyclopropylmethyl)-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-(cyclopropylmethyl)-4-hydroxy-2-oxo-1<I>H</I>-quinoline-3-carboxamide

> <PUBCHEM_IUPAC_NAME>
N-(cyclopropylmethyl)-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-(cyclopropylmethyl)-4-oxidanyl-2-oxidanylidene-1H-quinoline-3-carboxamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-(cyclopropylmethyl)-4-hydroxy-2-keto-1H-quinoline-3-carboxamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C14H14N2O3/c17-12-9-3-1-2-4-10(9)16-14(19)11(12)13(18)15-7-8-5-6-8/h1-4,8H,5-7H2,(H,15,18)(H2,16,17,19)

> <PUBCHEM_IUPAC_INCHIKEY>
CTEUCWGQTPRAMM-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2

> <PUBCHEM_EXACT_MASS>
258.10044231

> <PUBCHEM_MOLECULAR_FORMULA>
C14H14N2O3

> <PUBCHEM_MOLECULAR_WEIGHT>
258.27

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1CC1CNC(=O)C2=C(C3=CC=CC=C3NC2=O)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1CC1CNC(=O)C2=C(C3=CC=CC=C3NC2=O)O

> <PUBCHEM_CACTVS_TPSA>
78.4

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
258.10044231

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
19

> <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>
11  12  8
11  15  8
12  13  8
13  14  8
13  16  8
14  17  8
16  18  8
17  19  8
18  19  8
5  14  8
5  15  8

$$$$