69477482
  -OEChem-04242406042D

 52 55  0     0  0  0  0  0  0999 V2000
    2.0000    1.0241    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.1282    0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5301    2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2622   -1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2622    2.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5301   -1.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1282    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9942    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1282    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8602    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9942    4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8602    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2622    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3961    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3961   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5301    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6641   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6641    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5301   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7702   -1.0347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7702    1.0347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3961   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8641   -0.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8641    0.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3961   -3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2622   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2622   -4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1282   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1282   -3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1282    1.8800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5957    1.5250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3928    1.5250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9162    4.0826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5176    3.3923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0723    1.9174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4708    2.6077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3928    4.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5957    4.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4708    3.3923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0723    4.0826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7252    2.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9196   -1.8923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3181   -2.5826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7773   -1.6546    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7773    1.6546    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3284   -0.8329    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9932    2.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8592   -3.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2622   -1.3800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2622   -4.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6651   -2.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6651   -3.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 24  1  0  0  0  0
  2 13  2  0  0  0  0
  3 16  1  0  0  0  0
  3 47  1  0  0  0  0
  4 15  2  0  0  0  0
  5  7  1  0  0  0  0
  5 13  1  0  0  0  0
  5 41  1  0  0  0  0
  6 15  1  0  0  0  0
  6 17  1  0  0  0  0
  6 19  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 30  1  0  0  0  0
  8 10  1  0  0  0  0
  8 31  1  0  0  0  0
  8 32  1  0  0  0  0
  9 11  1  0  0  0  0
  9 33  1  0  0  0  0
  9 34  1  0  0  0  0
 10 12  1  0  0  0  0
 10 35  1  0  0  0  0
 10 36  1  0  0  0  0
 11 12  1  0  0  0  0
 11 37  1  0  0  0  0
 11 38  1  0  0  0  0
 12 39  1  0  0  0  0
 12 40  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 16 18  1  0  0  0  0
 17 18  2  0  0  0  0
 17 20  1  0  0  0  0
 18 21  1  0  0  0  0
 19 22  1  0  0  0  0
 19 42  1  0  0  0  0
 19 43  1  0  0  0  0
 20 23  2  0  0  0  0
 20 44  1  0  0  0  0
 21 24  2  0  0  0  0
 21 45  1  0  0  0  0
 22 25  2  0  0  0  0
 22 26  1  0  0  0  0
 23 24  1  0  0  0  0
 23 46  1  0  0  0  0
 25 27  1  0  0  0  0
 25 48  1  0  0  0  0
 26 28  2  0  0  0  0
 26 49  1  0  0  0  0
 27 29  2  0  0  0  0
 27 50  1  0  0  0  0
 28 29  1  0  0  0  0
 28 51  1  0  0  0  0
 29 52  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
69477482

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
653

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7MQAAAAAAAAAAAAAAAAAAAAAAAAAwYMEAAAAAAACBQAAAHwAQCAAADCzBmAwwwIPAAgCIAiVSUACCAAAhIgAIiIEIbMgIJirI0ZGEcAhm1gHI2QeQwCAOAAAAAAACAAAAAAAAAAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
1-benzyl-N-cyclohexyl-6-fluoro-4-hydroxy-2-oxo-quinoline-3-carboxamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-cyclohexyl-6-fluoro-4-hydroxy-2-oxo-1-(phenylmethyl)-3-quinolinecarboxamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
1-benzyl-<I>N</I>-cyclohexyl-6-fluoro-4-hydroxy-2-oxoquinoline-3-carboxamide

> <PUBCHEM_IUPAC_NAME>
1-benzyl-N-cyclohexyl-6-fluoro-4-hydroxy-2-oxoquinoline-3-carboxamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-cyclohexyl-6-fluoranyl-4-oxidanyl-2-oxidanylidene-1-(phenylmethyl)quinoline-3-carboxamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
1-benzyl-N-cyclohexyl-6-fluoro-4-hydroxy-2-keto-quinoline-3-carboxamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C23H23FN2O3/c24-16-11-12-19-18(13-16)21(27)20(22(28)25-17-9-5-2-6-10-17)23(29)26(19)14-15-7-3-1-4-8-15/h1,3-4,7-8,11-13,17,27H,2,5-6,9-10,14H2,(H,25,28)

> <PUBCHEM_IUPAC_INCHIKEY>
DGGRYTLEOAAYCQ-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
4.3

> <PUBCHEM_EXACT_MASS>
394.16927076

> <PUBCHEM_MOLECULAR_FORMULA>
C23H23FN2O3

> <PUBCHEM_MOLECULAR_WEIGHT>
394.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1CCC(CC1)NC(=O)C2=C(C3=C(C=CC(=C3)F)N(C2=O)CC4=CC=CC=C4)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1CCC(CC1)NC(=O)C2=C(C3=C(C=CC(=C3)F)N(C2=O)CC4=CC=CC=C4)O

> <PUBCHEM_CACTVS_TPSA>
69.6

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
394.16927076

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
29

> <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>
14  15  8
14  16  8
16  18  8
17  18  8
17  20  8
18  21  8
20  23  8
21  24  8
22  25  8
22  26  8
23  24  8
25  27  8
26  28  8
27  29  8
28  29  8
6  15  8
6  17  8

$$$$