69907180
  -OEChem-05012417322D

 27 29  0     0  0  0  0  0  0999 V2000
    5.5301    1.5600    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.5841    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.2622   -1.4400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5301   -1.4400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1282    2.0600    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6641    0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6641   -0.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3961    0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5301    0.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3961   -0.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2622    0.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7702    0.5947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7702   -1.4747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8641    0.0808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8641   -0.9608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1282    0.0600    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
    8.9942    0.5600    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
    5.5301   -2.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7773    1.2146    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7773   -2.0946    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3284   -1.2729    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1282   -0.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7252    1.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5312    0.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5312    1.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  2 14  1  0  0  0  0
  3 10  2  0  0  0  0
  4  7  1  0  0  0  0
  4 10  1  0  0  0  0
  4 20  1  0  0  0  0
  5 17  1  0  0  0  0
  5 19  2  0  0  0  0
  6  7  2  0  0  0  0
  6  9  1  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
 11 16  1  0  0  0  0
 11 17  2  0  0  0  0
 12 14  2  0  0  0  0
 12 21  1  0  0  0  0
 13 15  2  0  0  0  0
 13 22  1  0  0  0  0
 14 15  1  0  0  0  0
 15 23  1  0  0  0  0
 16 18  2  0  0  0  0
 16 24  1  0  0  0  0
 17 25  1  0  0  0  0
 18 19  1  0  0  0  0
 18 26  1  0  0  0  0
 19 27  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
69907180

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
410

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzIYAAAAAAAAAAAAAAAAAAAAAAAAA8QIAAAAAAAACBwAAAHwAQAAAADAjBmgw8wJLIEACoAjV3VACCgCAxAiAI2CE4ZNgIIPLAlZGEIAhglADIyQcciAAOAAAAAAACAAAAAAAAAAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
4,6-difluoro-3-(3-pyridyl)-1H-quinolin-2-one

> <PUBCHEM_IUPAC_CAS_NAME>
4,6-difluoro-3-(3-pyridinyl)-1H-quinolin-2-one

> <PUBCHEM_IUPAC_NAME_MARKUP>
4,6-difluoro-3-pyridin-3-yl-1<I>H</I>-quinolin-2-one

> <PUBCHEM_IUPAC_NAME>
4,6-difluoro-3-pyridin-3-yl-1H-quinolin-2-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
4,6-bis(fluoranyl)-3-pyridin-3-yl-1H-quinolin-2-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
4,6-difluoro-3-(3-pyridyl)carbostyril

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C14H8F2N2O/c15-9-3-4-11-10(6-9)13(16)12(14(19)18-11)8-2-1-5-17-7-8/h1-7H,(H,18,19)

> <PUBCHEM_IUPAC_INCHIKEY>
VIVOHILFQXCBIO-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
1.8

> <PUBCHEM_EXACT_MASS>
258.06046921

> <PUBCHEM_MOLECULAR_FORMULA>
C14H8F2N2O

> <PUBCHEM_MOLECULAR_WEIGHT>
258.22

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC(=CN=C1)C2=C(C3=C(C=CC(=C3)F)NC2=O)F

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC(=CN=C1)C2=C(C3=C(C=CC(=C3)F)NC2=O)F

> <PUBCHEM_CACTVS_TPSA>
42

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
258.06046921

> <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>
11  16  8
11  17  8
12  14  8
13  15  8
14  15  8
16  18  8
18  19  8
4  10  8
4  7  8
5  17  8
5  19  8
6  12  8
6  7  8
6  9  8
7  13  8
8  10  8
8  9  8

$$$$