54717827
  -OEChem-05122416092D

 47 49  0     0  0  0  0  0  0999 V2000
    4.6660    1.7277    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981   -1.2723    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    1.7277    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -1.2723    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9176    1.7623    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    0.2277    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000    0.2277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -0.7723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061    0.7624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660    0.7277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321    0.2277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321   -0.7723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061   -1.3070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.2485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.7931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    0.7277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -2.2723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0574    2.2723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7894    2.2523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301    0.7277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641   -0.7723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962    0.2277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301    1.7277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8622    0.7277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962    2.2277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8622    1.7277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9132   -1.9269    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643    0.5606    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643   -1.1052    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0460   -2.2723    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -2.8923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2860   -2.2723    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3736    2.8056    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5241    2.5885    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7413    1.7390    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0931    1.7118    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3299    2.5560    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4856    2.7927    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2030    2.0377    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6441   -0.7723    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641   -1.3923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8841   -0.7723    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962   -0.3923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5932    2.0377    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3991    0.4177    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962    2.8477    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3991    2.0377    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1 39  1  0  0  0  0
  2 12  2  0  0  0  0
  3 16  2  0  0  0  0
  4  8  1  0  0  0  0
  4 12  1  0  0  0  0
  4 17  1  0  0  0  0
  5  9  1  0  0  0  0
  5 18  1  0  0  0  0
  5 19  1  0  0  0  0
  6 16  1  0  0  0  0
  6 20  1  0  0  0  0
  6 21  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
  8 13  1  0  0  0  0
  9 14  2  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 11 16  1  0  0  0  0
 13 15  2  0  0  0  0
 13 27  1  0  0  0  0
 14 15  1  0  0  0  0
 14 28  1  0  0  0  0
 15 29  1  0  0  0  0
 17 30  1  0  0  0  0
 17 31  1  0  0  0  0
 17 32  1  0  0  0  0
 18 33  1  0  0  0  0
 18 34  1  0  0  0  0
 18 35  1  0  0  0  0
 19 36  1  0  0  0  0
 19 37  1  0  0  0  0
 19 38  1  0  0  0  0
 20 22  2  0  0  0  0
 20 23  1  0  0  0  0
 21 40  1  0  0  0  0
 21 41  1  0  0  0  0
 21 42  1  0  0  0  0
 22 24  1  0  0  0  0
 22 43  1  0  0  0  0
 23 25  2  0  0  0  0
 23 44  1  0  0  0  0
 24 26  2  0  0  0  0
 24 45  1  0  0  0  0
 25 26  1  0  0  0  0
 25 46  1  0  0  0  0
 26 47  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
54717827

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
595

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7MAAAAAAAAAAAAAAAAAAAAAAAAAAwYIAAAAAAAACBQAAAHgAACAAADAyBmAQywIMAAgCIAiVSUACCAAAhIgAIiAEIbMgIJirI0dGEcAhmxgHI2QeQwCAOAAAAAAQCAAAAAAAACAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
5-(dimethylamino)-4-hydroxy-N,1-dimethyl-2-oxo-N-phenyl-quinoline-3-carboxamide

> <PUBCHEM_IUPAC_CAS_NAME>
5-(dimethylamino)-4-hydroxy-N,1-dimethyl-2-oxo-N-phenyl-3-quinolinecarboxamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
5-(dimethylamino)-4-hydroxy-<I>N</I>,1-dimethyl-2-oxo-<I>N</I>-phenylquinoline-3-carboxamide

> <PUBCHEM_IUPAC_NAME>
5-(dimethylamino)-4-hydroxy-N,1-dimethyl-2-oxo-N-phenylquinoline-3-carboxamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
5-(dimethylamino)-N,1-dimethyl-4-oxidanyl-2-oxidanylidene-N-phenyl-quinoline-3-carboxamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
5-(dimethylamino)-4-hydroxy-2-keto-N,1-dimethyl-N-phenyl-quinoline-3-carboxamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C20H21N3O3/c1-21(2)14-11-8-12-15-16(14)18(24)17(20(26)23(15)4)19(25)22(3)13-9-6-5-7-10-13/h5-12,24H,1-4H3

> <PUBCHEM_IUPAC_INCHIKEY>
FTUOUTZGRCMBRX-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.8

> <PUBCHEM_EXACT_MASS>
351.15829154

> <PUBCHEM_MOLECULAR_FORMULA>
C20H21N3O3

> <PUBCHEM_MOLECULAR_WEIGHT>
351.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
CN1C2=C(C(=CC=C2)N(C)C)C(=C(C1=O)C(=O)N(C)C3=CC=CC=C3)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
CN1C2=C(C(=CC=C2)N(C)C)C(=C(C1=O)C(=O)N(C)C3=CC=CC=C3)O

> <PUBCHEM_CACTVS_TPSA>
64.1

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
351.15829154

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
26

> <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  12  8
13  15  8
14  15  8
20  22  8
20  23  8
22  24  8
23  25  8
24  26  8
25  26  8
4  12  8
4  8  8
7  10  8
7  8  8
7  9  8
8  13  8
9  14  8

$$$$