68819165
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255
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5.506
6.5968
3.7899
6.5968
4.8648
4.8648
5.7308
3.957
7.4629
7.4629
6.5968
3.2892
5.7308
4.7617
3.6464
8.3568
8.3568
2.3107
2.6678
9.2629
9.2629
2
5.7308
4.8648
5.7308
3.9988
3.9988
6.5968
5.1939
3.5397
4.0604
8.3496
8.3496
1.8966
7.1338
2.4752
9.7986
9.7986
1.3933
4.8648
6.2678
3.4618
3.4618
3.274
1.6174
2.8153
-1.3826
-3.3826
1.6174
1.1174
1.2123
0.1174
1.1174
-0.3826
1.9566
0.1174
2.6061
0.2618
-0.4173
1.6521
1.7504
0.0555
0.0966
1.1382
0.7999
-1.8826
-1.3826
-2.8826
-1.8826
-2.8826
2.2374
-0.1926
3.3826
-0.1997
-1.0372
2.272
2.2118
-1.6926
-0.5338
-0.2155
1.4503
0.672
-0.7626
-3.1926
-1.5726
-3.1926
8
8
1
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8
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8
5
5
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15
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26
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27
7
12
15
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27
0
Compound
Canonicalized
5
2012.11.26
1
Compound Complexity
7
E_COMPLEXITY
3.408
Cactvs
xemistry.com
2012.11.26
655
Count
Hydrogen Bond Acceptor
5
E_NHACCEPTORS
3.408
Cactvs
xemistry.com
2012.11.26
4
Count
Hydrogen Bond Donor
5
E_NHDONORS
3.408
Cactvs
xemistry.com
2012.11.26
3
Count
Rotatable Bond
5
E_NROTBONDS
3.408
Cactvs
xemistry.com
2012.11.26
2
Fingerprint
SubStructure Keys
16
extended 2
E_SCREEN
3.408
Cactvs
xemistry.com
2012.11.26
00000371E07BA0000000000000000000000000000001600000003C608100000000005881D000001E00100000000C08C19A043CC092C81000A8023577540082802031122008D8213874D80860F2C0D591942008609400C8C9471C88808E00000000000200000000000000040000000000000000
IUPAC Name
Allowed
1
2.2.0
LexiChem
openeye.com
2012.11.26
3-[4-(3-pyridylamino)-1H-quinolin-2-ylidene]indolin-2-one
IUPAC Name
CAS-like Style
1
2.2.0
LexiChem
openeye.com
2012.11.26
3-[4-(3-pyridinylamino)-1H-quinolin-2-ylidene]-1H-indol-2-one
IUPAC Name
Preferred
1
2.2.0
LexiChem
openeye.com
2012.11.26
3-[4-(pyridin-3-ylamino)-1H-quinolin-2-ylidene]-1H-indol-2-one
IUPAC Name
Systematic
1
2.2.0
LexiChem
openeye.com
2012.11.26
3-[4-(pyridin-3-ylamino)-1H-quinolin-2-ylidene]-1H-indol-2-one
IUPAC Name
Traditional
1
2.2.0
LexiChem
openeye.com
2012.11.26
3-[4-(3-pyridylamino)-1H-quinolin-2-ylidene]oxindole
InChI
Standard
1
1.0.4
InChI
iupac.org
2012.11.26
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)
InChIKey
Standard
1
1.0.4
InChI
iupac.org
2012.11.26
MLZYKQBUCOEIPB-UHFFFAOYSA-N
Log P
XLogP3-AA
7
3.0
sioc-ccbg.ac.cn
2012.11.26
3.3
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.11.26
352.132411
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2012.11.26
C22H16N4O
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.11.26
352.38864
SMILES
Canonical
1
1.9.0
OEChem
openeye.com
2012.11.26
C1=CC=C2C(=C1)C(=CC(=C3C4=CC=CC=C4NC3=O)N2)NC5=CN=CC=C5
SMILES
Isomeric
1
1.9.0
OEChem
openeye.com
2012.11.26
C1=CC=C2C(=C1)C(=CC(=C3C4=CC=CC=C4NC3=O)N2)NC5=CN=CC=C5
Topological
Polar Surface Area
7
E_TPSA
3.408
Cactvs
xemistry.com
2012.11.26
66
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.11.26
352.132411
27
0
0
0
1
0
1
0
1
29