68819165
  -OEChem-05221318222D

 43 47  0     0  0  0  0  0  0999 V2000
    5.5060    3.2740    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5968    1.6174    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7899    2.8153    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5968   -1.3826    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8648   -3.3826    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8648    1.6174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7308    1.1174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9570    1.2123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4629    0.1174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4629    1.1174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5968   -0.3826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2892    1.9566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7308    0.1174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7617    2.6061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6464    0.2618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3568   -0.4173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3568    1.6521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3107    1.7504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6678    0.0555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2629    0.0966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2629    1.1382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7308   -1.8826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8648   -1.3826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7308   -2.8826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9988   -1.8826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9988   -2.8826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5968    2.2374    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1939   -0.1926    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5397    3.3826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0604   -0.1997    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3496   -1.0372    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3496    2.2720    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8966    2.2118    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1338   -1.6926    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4752   -0.5338    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7986   -0.2155    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7986    1.4503    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3933    0.6720    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8648   -0.7626    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2678   -3.1926    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4618   -1.5726    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4618   -3.1926    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  2  0  0  0  0
  2  7  1  0  0  0  0
  2 10  1  0  0  0  0
  2 28  1  0  0  0  0
  3 12  1  0  0  0  0
  3 14  1  0  0  0  0
  3 30  1  0  0  0  0
  4 11  1  0  0  0  0
  4 23  1  0  0  0  0
  4 35  1  0  0  0  0
  5 25  1  0  0  0  0
  5 27  2  0  0  0  0
  6  7  2  3  0  0  0
  6  8  1  0  0  0  0
  6 14  1  0  0  0  0
  7 13  1  0  0  0  0
  8 12  1  0  0  0  0
  8 15  2  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 16  2  0  0  0  0
 10 17  2  0  0  0  0
 11 13  2  0  0  0  0
 12 18  2  0  0  0  0
 13 29  1  0  0  0  0
 15 19  1  0  0  0  0
 15 31  1  0  0  0  0
 16 20  1  0  0  0  0
 16 32  1  0  0  0  0
 17 21  1  0  0  0  0
 17 33  1  0  0  0  0
 18 22  1  0  0  0  0
 18 34  1  0  0  0  0
 19 22  2  0  0  0  0
 19 36  1  0  0  0  0
 20 21  2  0  0  0  0
 20 37  1  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
 23 25  2  0  0  0  0
 24 26  2  0  0  0  0
 24 40  1  0  0  0  0
 25 41  1  0  0  0  0
 26 27  1  0  0  0  0
 26 42  1  0  0  0  0
 27 43  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
68819165

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
655

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
3

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7oAAAAAAAAAAAAAAAAAAAAWAAAAA8YIEAAAAAAFiB0AAAHgAQAAAADAjBmgQ8wJLIEACoAjV3VACCgCAxEiAI2CE4dNgIYPLA1ZGUIAhglADIyUcciICOAAAAAAACAAAAAAAAAAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
3-[4-(3-pyridylamino)-1H-quinolin-2-ylidene]indolin-2-one

> <PUBCHEM_IUPAC_CAS_NAME>
3-[4-(3-pyridinylamino)-1H-quinolin-2-ylidene]-1H-indol-2-one

> <PUBCHEM_IUPAC_NAME>
3-[4-(pyridin-3-ylamino)-1H-quinolin-2-ylidene]-1H-indol-2-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
3-[4-(pyridin-3-ylamino)-1H-quinolin-2-ylidene]-1H-indol-2-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
3-[4-(3-pyridylamino)-1H-quinolin-2-ylidene]oxindole

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C22H16N4O/c27-22-21(16-8-2-4-10-18(16)26-22)20-12-19(24-14-6-5-11-23-13-14)15-7-1-3-9-17(15)25-20/h1-13,24-25H,(H,26,27)

> <PUBCHEM_IUPAC_INCHIKEY>
MLZYKQBUCOEIPB-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.3

> <PUBCHEM_EXACT_MASS>
352.132411

> <PUBCHEM_MOLECULAR_FORMULA>
C22H16N4O

> <PUBCHEM_MOLECULAR_WEIGHT>
352.38864

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC=C2C(=C1)C(=CC(=C3C4=CC=CC=C4NC3=O)N2)NC5=CN=CC=C5

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC=C2C(=C1)C(=CC(=C3C4=CC=CC=C4NC3=O)N2)NC5=CN=CC=C5

> <PUBCHEM_CACTVS_TPSA>
66

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
352.132411

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
27

> <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>
29

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
10  17  8
12  18  8
15  19  8
16  20  8
17  21  8
18  22  8
19  22  8
20  21  8
23  24  8
23  25  8
24  26  8
26  27  8
5  25  8
5  27  8
6  7  1
8  12  8
8  15  8
9  10  8
9  16  8

$$$$