70555838
  -OEChem-04192412302D

 44 46  0     0  0  0  0  0  0999 V2000
    4.6660    1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981   -1.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641   -0.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -1.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.7282    1.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061    0.2847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8622    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061   -1.7847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8622    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5942    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4603    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -2.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9132    0.9046    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5932    1.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962   -0.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9132   -2.4046    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6441   -1.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641   -1.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8841   -1.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962    2.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3991   -0.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643    0.0829    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643   -1.5829    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7282    2.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1957    0.7751    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9928    0.7751    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1291    1.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7703    1.2131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9972    2.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1503    2.2869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1 41  1  0  0  0  0
  2 12  2  0  0  0  0
  3 13  2  0  0  0  0
  4 11  1  0  0  0  0
  4 12  1  0  0  0  0
  4 19  1  0  0  0  0
  5  9  1  0  0  0  0
  5 13  1  0  0  0  0
  5 26  1  0  0  0  0
  6 15  1  0  0  0  0
  6 24  1  0  0  0  0
  6 38  1  0  0  0  0
  7 10  2  0  0  0  0
  7 12  1  0  0  0  0
  7 13  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 14  2  0  0  0  0
  9 18  2  0  0  0  0
 11 16  2  0  0  0  0
 11 17  1  0  0  0  0
 14 22  1  0  0  0  0
 14 27  1  0  0  0  0
 15 20  2  0  0  0  0
 15 21  1  0  0  0  0
 16 20  1  0  0  0  0
 16 28  1  0  0  0  0
 17 21  2  0  0  0  0
 17 29  1  0  0  0  0
 18 23  1  0  0  0  0
 18 30  1  0  0  0  0
 19 31  1  0  0  0  0
 19 32  1  0  0  0  0
 19 33  1  0  0  0  0
 20 34  1  0  0  0  0
 21 35  1  0  0  0  0
 22 23  2  0  0  0  0
 22 36  1  0  0  0  0
 23 37  1  0  0  0  0
 24 25  1  0  0  0  0
 24 39  1  0  0  0  0
 24 40  1  0  0  0  0
 25 42  1  0  0  0  0
 25 43  1  0  0  0  0
 25 44  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
70555838

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
552

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
3

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7MAAAAAAAAAAAAAAAAAAAAAAAAAAwYIAAAAAAAACBQAAAHgAQCAAADAzBmAQywIPAAgCIAiVSUACCAAAhIgAIiIEIbMgIJirI0ZGEcAhm1gHI2QeQwCAOAACAAAACAAAAAQAAAAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-[4-(ethylamino)phenyl]-4-hydroxy-N-methyl-2-oxo-1H-quinoline-3-carboxamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-[4-(ethylamino)phenyl]-4-hydroxy-N-methyl-2-oxo-1H-quinoline-3-carboxamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-[4-(ethylamino)phenyl]-4-hydroxy-<I>N</I>-methyl-2-oxo-1<I>H</I>-quinoline-3-carboxamide

> <PUBCHEM_IUPAC_NAME>
N-[4-(ethylamino)phenyl]-4-hydroxy-N-methyl-2-oxo-1H-quinoline-3-carboxamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-[4-(ethylamino)phenyl]-N-methyl-4-oxidanyl-2-oxidanylidene-1H-quinoline-3-carboxamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-[4-(ethylamino)phenyl]-4-hydroxy-2-keto-N-methyl-1H-quinoline-3-carboxamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C19H19N3O3/c1-3-20-12-8-10-13(11-9-12)22(2)19(25)16-17(23)14-6-4-5-7-15(14)21-18(16)24/h4-11,20H,3H2,1-2H3,(H2,21,23,24)

> <PUBCHEM_IUPAC_INCHIKEY>
ZOTIQXHJUNDGSM-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.8

> <PUBCHEM_EXACT_MASS>
337.14264148

> <PUBCHEM_MOLECULAR_FORMULA>
C19H19N3O3

> <PUBCHEM_MOLECULAR_WEIGHT>
337.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCNC1=CC=C(C=C1)N(C)C(=O)C2=C(C3=CC=CC=C3NC2=O)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCNC1=CC=C(C=C1)N(C)C(=O)C2=C(C3=CC=CC=C3NC2=O)O

> <PUBCHEM_CACTVS_TPSA>
81.7

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
337.14264148

> <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>
11  16  8
11  17  8
14  22  8
15  20  8
15  21  8
16  20  8
17  21  8
18  23  8
22  23  8
5  13  8
5  9  8
7  10  8
7  13  8
8  10  8
8  14  8
8  9  8
9  18  8

$$$$