11346068
  -OEChem-05102421262D

 33 35  0     0  0  0  0  0  0999 V2000
    2.5381    1.0241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3984   -2.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0682   -1.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2022    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2022   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9343   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0682    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9343    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8003   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3083    1.0347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3083   -1.0347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4022    0.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4022   -0.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0682    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6663   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8003   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5323   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6663   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5323   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9343    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0682   -1.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4712    0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3154    1.6546    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3154   -1.6546    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8665   -0.8329    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5313    2.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6663    0.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2634   -2.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0693   -0.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6663   -3.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4712    2.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9343    3.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.7162    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  1 33  1  0  0  0  0
  2 19  2  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3 21  1  0  0  0  0
  4  5  2  0  0  0  0
  4  7  1  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  2  0  0  0  0
  7  8  2  0  0  0  0
  7 14  1  0  0  0  0
  8 22  1  0  0  0  0
  9 15  1  0  0  0  0
  9 16  1  0  0  0  0
 10 12  2  0  0  0  0
 10 23  1  0  0  0  0
 11 13  2  0  0  0  0
 11 24  1  0  0  0  0
 12 13  1  0  0  0  0
 13 25  1  0  0  0  0
 14 20  2  0  0  0  0
 14 26  1  0  0  0  0
 15 17  2  0  0  0  0
 15 27  1  0  0  0  0
 16 18  2  0  0  0  0
 16 28  1  0  0  0  0
 17 19  1  0  0  0  0
 17 29  1  0  0  0  0
 18 19  1  0  0  0  0
 18 30  1  0  0  0  0
 20 31  1  0  0  0  0
 20 32  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
11346068

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
548

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccB6MAAAAAAAAAAAAAAAAAAAAAAAAAAwQIAAAAAAAACBAAAAHgAQCAAADAyBmAAwxoLAAgCIAqRSQACCAAAhIgAIiAAGbMgIJiLCkZOEcAhk0BHI2YewwLAOAEABAAACAAAAgAIAAAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
4-(6-hydroxy-4-vinyl-1H-quinolin-2-ylidene)cyclohexa-2,5-dien-1-one

> <PUBCHEM_IUPAC_CAS_NAME>
4-(4-ethenyl-6-hydroxy-1H-quinolin-2-ylidene)-1-cyclohexa-2,5-dienone

> <PUBCHEM_IUPAC_NAME_MARKUP>
4-(4-ethenyl-6-hydroxy-1<I>H</I>-quinolin-2-ylidene)cyclohexa-2,5-dien-1-one

> <PUBCHEM_IUPAC_NAME>
4-(4-ethenyl-6-hydroxy-1H-quinolin-2-ylidene)cyclohexa-2,5-dien-1-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
4-(4-ethenyl-6-oxidanyl-1H-quinolin-2-ylidene)cyclohexa-2,5-dien-1-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
4-(6-hydroxy-4-vinyl-1H-quinolin-2-ylidene)cyclohexa-2,5-dien-1-one

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C17H13NO2/c1-2-11-9-17(12-3-5-13(19)6-4-12)18-16-8-7-14(20)10-15(11)16/h2-10,18,20H,1H2

> <PUBCHEM_IUPAC_INCHIKEY>
TZGMZZJOJRFRPY-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.9

> <PUBCHEM_EXACT_MASS>
263.094628657

> <PUBCHEM_MOLECULAR_FORMULA>
C17H13NO2

> <PUBCHEM_MOLECULAR_WEIGHT>
263.29

> <PUBCHEM_OPENEYE_CAN_SMILES>
C=CC1=CC(=C2C=CC(=O)C=C2)NC3=C1C=C(C=C3)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
C=CC1=CC(=C2C=CC(=O)C=C2)NC3=C1C=C(C=C3)O

> <PUBCHEM_CACTVS_TPSA>
49.3

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
263.094628657

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
20

> <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  12  8
11  13  8
12  13  8
4  10  8
4  5  8
5  11  8

$$$$