54683840
  -OEChem-05082411172D

 35 36  0     0  0  0  0  0  0999 V2000
    4.6660    2.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981   -0.9050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    2.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -0.9050    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    0.5950    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -0.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000    0.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -1.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321    0.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321   -0.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660    1.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061   -0.9397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061    1.1297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    1.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321   -2.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.4258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.6158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301    1.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962    0.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0555   -1.7973    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4540   -2.4876    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9132   -1.5596    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9132    1.7496    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2221   -2.9419    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0690   -2.7150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8421   -1.8681    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643   -0.7379    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643    0.9279    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641   -0.0250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5287    1.5700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7316    1.5700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1291    2.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6862    0.0581    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5331    0.2850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3062    1.1319    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  1 32  1  0  0  0  0
  2 10  2  0  0  0  0
  3 14  2  0  0  0  0
  4  6  1  0  0  0  0
  4  8  1  0  0  0  0
  4 10  1  0  0  0  0
  5 14  1  0  0  0  0
  5 18  1  0  0  0  0
  5 29  1  0  0  0  0
  6  7  1  0  0  0  0
  6 12  2  0  0  0  0
  7 11  1  0  0  0  0
  7 13  2  0  0  0  0
  8 15  1  0  0  0  0
  8 20  1  0  0  0  0
  8 21  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
  9 14  1  0  0  0  0
 12 16  1  0  0  0  0
 12 22  1  0  0  0  0
 13 17  1  0  0  0  0
 13 23  1  0  0  0  0
 15 24  1  0  0  0  0
 15 25  1  0  0  0  0
 15 26  1  0  0  0  0
 16 17  2  0  0  0  0
 16 27  1  0  0  0  0
 17 28  1  0  0  0  0
 18 19  1  0  0  0  0
 18 30  1  0  0  0  0
 18 31  1  0  0  0  0
 19 33  1  0  0  0  0
 19 34  1  0  0  0  0
 19 35  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
54683840

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
417

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBzMAAAAAAAAAAAAAAAAAAAAAAAAAAwQAAAAAAAAACBAAAAHgAQCAAADAzBmAQywIPAAgCIAiVSUACCAAAhIgAIiIEIbMgIJirI0ZGEcAhm1gHI2QeQwCAOAAAAAAACAAAAAAAAAAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N,1-diethyl-4-hydroxy-2-oxo-quinoline-3-carboxamide

> <PUBCHEM_IUPAC_CAS_NAME>
N,1-diethyl-4-hydroxy-2-oxo-3-quinolinecarboxamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>,1-diethyl-4-hydroxy-2-oxoquinoline-3-carboxamide

> <PUBCHEM_IUPAC_NAME>
N,1-diethyl-4-hydroxy-2-oxoquinoline-3-carboxamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N,1-diethyl-4-oxidanyl-2-oxidanylidene-quinoline-3-carboxamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N,1-diethyl-4-hydroxy-2-keto-quinoline-3-carboxamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C14H16N2O3/c1-3-15-13(18)11-12(17)9-7-5-6-8-10(9)16(4-2)14(11)19/h5-8,17H,3-4H2,1-2H3,(H,15,18)

> <PUBCHEM_IUPAC_INCHIKEY>
NOCDQRFVYXBIFU-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.2

> <PUBCHEM_EXACT_MASS>
260.11609238

> <PUBCHEM_MOLECULAR_FORMULA>
C14H16N2O3

> <PUBCHEM_MOLECULAR_WEIGHT>
260.29

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCNC(=O)C1=C(C2=CC=CC=C2N(C1=O)CC)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCNC(=O)C1=C(C2=CC=CC=C2N(C1=O)CC)O

> <PUBCHEM_CACTVS_TPSA>
69.6

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
260.11609238

> <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>
12  16  8
13  17  8
16  17  8
4  10  8
4  6  8
6  12  8
6  7  8
7  11  8
7  13  8
9  10  8
9  11  8

$$$$