57801438
  -OEChem-04262415192D

 43 47  0     0  0  0  0  0  0999 V2000
    7.5121    0.3285    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -1.0551    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9730   -1.3870    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660    1.9449    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    2.4449    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981   -1.0551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321   -0.5551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5011   -2.0438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000    0.4449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -0.5551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660    0.9449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4796   -2.2501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321    0.4449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3059   -0.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8333   -2.7881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061    0.9795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061   -1.0898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7903   -3.2006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1440   -3.7387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.4657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.5759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1225   -3.9449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321    2.4449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321    3.4449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    1.9449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    3.9449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    3.4449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -1.6751    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0690    0.7549    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5893   -1.3201    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2266   -2.6603    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9132    1.5995    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9132   -1.7097    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3970   -3.3284    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1291    2.2549    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7299   -4.2001    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643    0.7778    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643   -0.8880    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3151   -4.5342    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9951    3.7549    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    1.3249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    4.5649    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8010    3.7549    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  0  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>
57801438

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

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

> <PUBCHEM_IUPAC_NAME_MARKUP>
(3<I>E</I>)-3-[4-(pyridin-3-ylamino)-1<I>H</I>-quinolin-2-ylidene]-1<I>H</I>-indol-2-one

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

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

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(3E)-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)/b21-20+

> <PUBCHEM_IUPAC_INCHIKEY>
MLZYKQBUCOEIPB-QZQOTICOSA-N

> <PUBCHEM_XLOGP3_AA>
3.3

> <PUBCHEM_EXACT_MASS>
352.13241115

> <PUBCHEM_MOLECULAR_FORMULA>
C22H16N4O

> <PUBCHEM_MOLECULAR_WEIGHT>
352.4

> <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(=C/C(=C\3/C4=CC=CC=C4NC3=O)/N2)NC5=CN=CC=C5

> <PUBCHEM_CACTVS_TPSA>
66

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
352.13241115

> <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>
1

> <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  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
8  12  8
8  15  8
9  10  8
9  16  8

$$$$