70214505
  -OEChem-04252402252D

 33 36  0     0  0  0  0  0  0999 V2000
    6.6229   -1.5549    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3390   -1.0963    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -1.3983    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1719    0.5068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    0.1017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8397   -0.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3672   -0.8871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    0.6017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321    0.1017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4826    1.4573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000    0.1017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8183   -0.0313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660    0.6017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -0.8983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4611    1.6635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1289    0.9192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321   -0.8983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061    0.6363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061   -1.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.1225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.9191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    1.2217    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5892   -1.6635    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0685    1.9188    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2323   -0.4928    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660    1.2217    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6537    2.2528    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7356    1.0471    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0690   -1.2083    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9132    1.2563    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9132   -2.0530    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643    0.4346    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643   -1.2312    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  2  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  2 23  1  0  0  0  0
  3 14  1  0  0  0  0
  3 17  2  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4 10  2  0  0  0  0
  5  7  1  0  0  0  0
  5  8  2  3  0  0  0
  6 12  2  0  0  0  0
  8  9  1  0  0  0  0
  8 22  1  0  0  0  0
  9 13  2  0  0  0  0
  9 17  1  0  0  0  0
 10 15  1  0  0  0  0
 10 24  1  0  0  0  0
 11 13  1  0  0  0  0
 11 14  1  0  0  0  0
 11 18  2  0  0  0  0
 12 16  1  0  0  0  0
 12 25  1  0  0  0  0
 13 26  1  0  0  0  0
 14 19  2  0  0  0  0
 15 16  2  0  0  0  0
 15 27  1  0  0  0  0
 16 28  1  0  0  0  0
 17 29  1  0  0  0  0
 18 20  1  0  0  0  0
 18 30  1  0  0  0  0
 19 21  1  0  0  0  0
 19 31  1  0  0  0  0
 20 21  2  0  0  0  0
 20 32  1  0  0  0  0
 21 33  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
70214505

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
445

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccB7IAAAAAAAAAAAAAAAAAAAAWAAAAA8YIAAAAAAAFix9AAAHgAQAAAADAjBngQ8wPLIEACoAzV3VACCgCAxAiAI2CE4ZNgIIPLAlZGEIAhglADIyYcciMCOAAAAAAACAAAAAAAAAAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
3-(3-quinolylmethylene)indolin-2-one

> <PUBCHEM_IUPAC_CAS_NAME>
3-(3-quinolinylmethylidene)-1H-indol-2-one

> <PUBCHEM_IUPAC_NAME_MARKUP>
3-(quinolin-3-ylmethylidene)-1<I>H</I>-indol-2-one

> <PUBCHEM_IUPAC_NAME>
3-(quinolin-3-ylmethylidene)-1H-indol-2-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
3-(quinolin-3-ylmethylidene)-1H-indol-2-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
3-(3-quinolylmethylene)oxindole

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C18H12N2O/c21-18-15(14-6-2-4-8-17(14)20-18)10-12-9-13-5-1-3-7-16(13)19-11-12/h1-11H,(H,20,21)

> <PUBCHEM_IUPAC_INCHIKEY>
YSNDWAQWWQVUEA-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.2

> <PUBCHEM_EXACT_MASS>
272.094963011

> <PUBCHEM_MOLECULAR_FORMULA>
C18H12N2O

> <PUBCHEM_MOLECULAR_WEIGHT>
272.3

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC=C2C(=C1)C=C(C=N2)C=C3C4=CC=CC=C4NC3=O

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC=C2C(=C1)C=C(C=N2)C=C3C4=CC=CC=C4NC3=O

> <PUBCHEM_CACTVS_TPSA>
42

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
272.094963011

> <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>
1

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
10  15  8
11  13  8
11  14  8
11  18  8
12  16  8
14  19  8
15  16  8
18  20  8
19  21  8
20  21  8
3  14  8
3  17  8
4  10  8
4  6  8
5  8  1
6  12  8
9  13  8
9  17  8

$$$$