68950602
  -OEChem-04252400022D

 33 35  0     0  0  0  0  0  0999 V2000
    6.3118    3.5172    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.5172    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.5172    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3580   -2.5519    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641   -2.0380    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1951    2.0273    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.0172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3580   -0.4825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.0172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.5172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.0172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3465    0.5174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.5172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.0172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641   -0.9964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4747    1.0074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2067    1.0274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4632    2.0073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3233    2.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.0172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.5172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.1028    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -3.1372    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7998   -0.6843    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9414    0.6912    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7472    0.7236    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9227    2.3110    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -0.4803    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.3272    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -1.5541    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2460   -3.5172    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -4.1372    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4860   -3.5172    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 19  1  0  0  0  0
  2 11  1  0  0  0  0
  2 20  1  0  0  0  0
  3 14  1  0  0  0  0
  3 21  1  0  0  0  0
  4  5  2  0  0  0  0
  4  9  1  0  0  0  0
  5 15  1  0  0  0  0
  6 17  1  0  0  0  0
  6 19  2  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  2  0  0  0  0
  8 12  1  0  0  0  0
  8 15  2  0  0  0  0
  9 13  2  0  0  0  0
 10 11  1  0  0  0  0
 10 22  1  0  0  0  0
 11 14  2  0  0  0  0
 12 16  1  0  0  0  0
 12 17  2  0  0  0  0
 13 14  1  0  0  0  0
 13 23  1  0  0  0  0
 15 24  1  0  0  0  0
 16 18  2  0  0  0  0
 16 25  1  0  0  0  0
 17 26  1  0  0  0  0
 18 19  1  0  0  0  0
 18 27  1  0  0  0  0
 20 28  1  0  0  0  0
 20 29  1  0  0  0  0
 20 30  1  0  0  0  0
 21 31  1  0  0  0  0
 21 32  1  0  0  0  0
 21 33  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
68950602

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
347

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzMQAAAAAAAAAAAAAAAAAAAAAAAAA8WIAAAAAAAACx/AAAHwAIAAAADAzBng4+xvIIFACiAzRnRACSjCAxoiAY2CA+7JgNJuLEsZuEsCpmyBnK6Aew0PEOoEABAgACQABAgAIEAASAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
4-(6-fluoro-3-pyridyl)-6,7-dimethoxy-cinnoline

> <PUBCHEM_IUPAC_CAS_NAME>
4-(6-fluoro-3-pyridinyl)-6,7-dimethoxycinnoline

> <PUBCHEM_IUPAC_NAME_MARKUP>
4-(6-fluoropyridin-3-yl)-6,7-dimethoxycinnoline

> <PUBCHEM_IUPAC_NAME>
4-(6-fluoropyridin-3-yl)-6,7-dimethoxycinnoline

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
4-(6-fluoranylpyridin-3-yl)-6,7-dimethoxy-cinnoline

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
4-(6-fluoro-3-pyridyl)-6,7-dimethoxy-cinnoline

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C15H12FN3O2/c1-20-13-5-10-11(9-3-4-15(16)17-7-9)8-18-19-12(10)6-14(13)21-2/h3-8H,1-2H3

> <PUBCHEM_IUPAC_INCHIKEY>
JRJZHROHIIORCJ-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.1

> <PUBCHEM_EXACT_MASS>
285.09135480

> <PUBCHEM_MOLECULAR_FORMULA>
C15H12FN3O2

> <PUBCHEM_MOLECULAR_WEIGHT>
285.27

> <PUBCHEM_OPENEYE_CAN_SMILES>
COC1=C(C=C2C(=C1)C(=CN=N2)C3=CN=C(C=C3)F)OC

> <PUBCHEM_OPENEYE_ISO_SMILES>
COC1=C(C=C2C(=C1)C(=CN=N2)C3=CN=C(C=C3)F)OC

> <PUBCHEM_CACTVS_TPSA>
57.1

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
285.09135480

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
21

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

$$$$