57801461
  -OEChem-05072421422D

 46 50  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
    4.6660    1.9449    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
    7.2641    2.4449    0.0000 N   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
    6.3981   -1.0551    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
    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
    6.5011   -2.0438    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
    7.4796   -2.2501    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
    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
    5.8333   -2.7881    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
    7.7903   -3.2006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000    2.4449    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
    6.1440   -3.7387    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    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
    6.0690    0.7549    0.0000 H   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
    8.5893   -1.3201    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
    5.2266   -2.6603    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
    4.1100    2.9818    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2631    2.7549    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4900    1.9080    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
    5.7299   -4.2001    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  6  1  0  0  0  0
  2 10  1  0  0  0  0
  2 30  1  0  0  0  0
  3  8  1  0  0  0  0
  3 18  1  0  0  0  0
  3 20  1  0  0  0  0
  4 13  1  0  0  0  0
  4 14  1  0  0  0  0
  4 31  1  0  0  0  0
  5 26  1  0  0  0  0
  5 28  2  0  0  0  0
  6  7  2  0  0  0  0
  6 12  1  0  0  0  0
  7 11  1  0  0  0  0
  7 14  1  0  0  0  0
  8  9  1  0  0  0  0
  8 12  2  0  0  0  0
  9 10  1  0  0  0  0
  9 15  2  0  0  0  0
 10 16  2  0  0  0  0
 11 13  1  0  0  0  0
 11 17  2  0  0  0  0
 12 29  1  0  0  0  0
 13 19  2  0  0  0  0
 15 21  1  0  0  0  0
 15 32  1  0  0  0  0
 16 22  1  0  0  0  0
 16 33  1  0  0  0  0
 17 23  1  0  0  0  0
 17 34  1  0  0  0  0
 18 25  1  0  0  0  0
 18 26  2  0  0  0  0
 19 24  1  0  0  0  0
 19 35  1  0  0  0  0
 20 36  1  0  0  0  0
 20 37  1  0  0  0  0
 20 38  1  0  0  0  0
 21 22  2  0  0  0  0
 21 39  1  0  0  0  0
 22 40  1  0  0  0  0
 23 24  2  0  0  0  0
 23 41  1  0  0  0  0
 24 42  1  0  0  0  0
 25 27  2  0  0  0  0
 25 43  1  0  0  0  0
 26 44  1  0  0  0  0
 27 28  1  0  0  0  0
 27 45  1  0  0  0  0
 28 46  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
57801461

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
684

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7oAAAAAAAAAAAAAAAAAAAAWAAAAA8YIEAAAAAAFiB0AAAHgAQAAAADAjBmgQ+wJPIEACoAjV3VACCgCAxEiAI2CE4dNgIYPLA1ZGUIAhglADIyUcciICOAAAAAAACAAAAAAAAAAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(3E)-3-[4-[methyl(3-pyridyl)amino]-1H-quinolin-2-ylidene]indolin-2-one

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

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

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

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

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(3E)-3-[4-[methyl(3-pyridyl)amino]-1H-quinolin-2-ylidene]oxindole

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C23H18N4O/c1-27(15-7-6-12-24-14-15)21-13-20(25-18-10-4-2-8-16(18)21)22-17-9-3-5-11-19(17)26-23(22)28/h2-14,25H,1H3,(H,26,28)/b22-20+

> <PUBCHEM_IUPAC_INCHIKEY>
IIKNWSAMRXSKKA-LSDHQDQOSA-N

> <PUBCHEM_XLOGP3_AA>
3.4

> <PUBCHEM_EXACT_MASS>
366.14806121

> <PUBCHEM_MOLECULAR_FORMULA>
C23H18N4O

> <PUBCHEM_MOLECULAR_WEIGHT>
366.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
CN(C1=CN=CC=C1)C2=CC(=C3C4=CC=CC=C4NC3=O)NC5=CC=CC=C52

> <PUBCHEM_OPENEYE_ISO_SMILES>
CN(C1=CN=CC=C1)C2=C/C(=C\3/C4=CC=CC=C4NC3=O)/NC5=CC=CC=C52

> <PUBCHEM_CACTVS_TPSA>
57.3

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
366.14806121

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
28

> <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  16  8
11  13  8
11  17  8
13  19  8
15  21  8
16  22  8
17  23  8
18  25  8
18  26  8
19  24  8
21  22  8
23  24  8
25  27  8
27  28  8
5  26  8
5  28  8
9  10  8
9  15  8

$$$$