56757064
  -OEChem-05062417582D

 43 45  0     1  0  0  0  0  0999 V2000
    2.0000   -1.4158    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.6641    0.0600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2622   -3.4400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3961    0.0600    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1282    1.0600    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5301   -3.4400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3961    1.0600    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.5301    1.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2622    1.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5301   -1.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5301   -0.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6641   -1.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5301    2.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2622    2.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6641   -2.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1282    3.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3961   -1.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7702   -1.4053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3961   -2.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7702   -3.4747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9942    2.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9942    1.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8641   -1.9192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8641   -2.9608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1282    4.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9331    0.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9196    1.6677    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3181    0.9774    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9331   -0.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1501    2.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5301    3.1800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9101    2.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7252    2.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9331   -1.6300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7773   -0.7854    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5301   -4.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7773   -4.0946    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5312    2.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5312    1.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3284   -3.2729    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7482    4.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1282    4.6800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5082    4.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 23  1  0  0  0  0
  2 11  2  0  0  0  0
  3 19  2  0  0  0  0
  4  7  1  0  0  0  0
  4 11  1  0  0  0  0
  4 29  1  0  0  0  0
  5  9  2  0  0  0  0
  5 22  1  0  0  0  0
  6 15  1  0  0  0  0
  6 19  1  0  0  0  0
  6 36  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 26  1  0  0  0  0
  8 13  1  0  0  0  0
  8 27  1  0  0  0  0
  8 28  1  0  0  0  0
  9 14  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 17  2  0  0  0  0
 12 15  2  0  0  0  0
 12 18  1  0  0  0  0
 13 30  1  0  0  0  0
 13 31  1  0  0  0  0
 13 32  1  0  0  0  0
 14 16  2  0  0  0  0
 14 33  1  0  0  0  0
 15 20  1  0  0  0  0
 16 21  1  0  0  0  0
 16 25  1  0  0  0  0
 17 19  1  0  0  0  0
 17 34  1  0  0  0  0
 18 23  2  0  0  0  0
 18 35  1  0  0  0  0
 20 24  2  0  0  0  0
 20 37  1  0  0  0  0
 21 22  2  0  0  0  0
 21 38  1  0  0  0  0
 22 39  1  0  0  0  0
 23 24  1  0  0  0  0
 24 40  1  0  0  0  0
 25 41  1  0  0  0  0
 25 42  1  0  0  0  0
 25 43  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
56757064

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
551

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7MQAAAAAAAAAAAAAAAAAAAAAAAAA8QIAAAAAAAACBwAAAHwAQAAAADCjBngw+wJLIEACoAzV3VACCgCAxAiAI2KE4ZNgIYHLAlZGUIAhglgDIyYcciMCOAAAAAAACAAAAAAAAAAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
6-fluoro-N-[1-(4-methyl-2-pyridyl)propyl]-2-oxo-1H-quinoline-4-carboxamide

> <PUBCHEM_IUPAC_CAS_NAME>
6-fluoro-N-[1-(4-methyl-2-pyridinyl)propyl]-2-oxo-1H-quinoline-4-carboxamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
6-fluoro-<I>N</I>-[1-(4-methylpyridin-2-yl)propyl]-2-oxo-1<I>H</I>-quinoline-4-carboxamide

> <PUBCHEM_IUPAC_NAME>
6-fluoro-N-[1-(4-methylpyridin-2-yl)propyl]-2-oxo-1H-quinoline-4-carboxamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
6-fluoranyl-N-[1-(4-methylpyridin-2-yl)propyl]-2-oxidanylidene-1H-quinoline-4-carboxamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
6-fluoro-2-keto-N-[1-(4-methyl-2-pyridyl)propyl]-1H-quinoline-4-carboxamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C19H18FN3O2/c1-3-15(17-8-11(2)6-7-21-17)23-19(25)14-10-18(24)22-16-5-4-12(20)9-13(14)16/h4-10,15H,3H2,1-2H3,(H,22,24)(H,23,25)

> <PUBCHEM_IUPAC_INCHIKEY>
DHKXQRNVHMQNRQ-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.2

> <PUBCHEM_EXACT_MASS>
339.13830499

> <PUBCHEM_MOLECULAR_FORMULA>
C19H18FN3O2

> <PUBCHEM_MOLECULAR_WEIGHT>
339.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCC(C1=NC=CC(=C1)C)NC(=O)C2=CC(=O)NC3=C2C=C(C=C3)F

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCC(C1=NC=CC(=C1)C)NC(=O)C2=CC(=O)NC3=C2C=C(C=C3)F

> <PUBCHEM_CACTVS_TPSA>
71.1

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
339.13830499

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
25

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
1

> <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  12  8
10  17  8
12  15  8
12  18  8
14  16  8
15  20  8
16  21  8
17  19  8
18  23  8
20  24  8
21  22  8
23  24  8
5  22  8
5  9  8
6  15  8
6  19  8
7  8  3
9  14  8

$$$$