66848863
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11
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255
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3.732
5.4641
5.4641
5.4641
6.3301
4.5981
6.3301
4.5981
3.732
7.2241
5.4641
7.2241
8.1301
8.1301
3.732
2.866
6.3301
2.866
2
2
6.3301
7.1962
7.1962
5.4641
6.3301
5.4641
7.2169
4.9272
7.2169
8.6659
8.6659
4.269
2.866
6.8671
2.866
1.4631
1.4631
7.7331
7.7331
4.9272
6.3301
2.94
2.94
-2.06
0.94
1.44
1.44
2.44
2.44
0.94
0.9053
-0.06
2.9747
1.4192
2.4608
-0.06
1.44
-0.56
-0.56
0.94
-0.06
-1.56
-2.06
-3.06
-3.06
-3.56
3.56
0.2854
-0.37
3.5946
1.1071
2.7729
-0.37
2.06
-0.25
-1.18
1.25
-0.37
-1.75
-3.37
-3.37
-4.18
8
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24
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0
Compound
Canonicalized
5
2012.11.26
1
Compound Complexity
7
E_COMPLEXITY
3.408
Cactvs
xemistry.com
2012.11.26
544
Count
Hydrogen Bond Acceptor
5
E_NHACCEPTORS
3.408
Cactvs
xemistry.com
2012.11.26
2
Count
Hydrogen Bond Donor
5
E_NHDONORS
3.408
Cactvs
xemistry.com
2012.11.26
1
Count
Rotatable Bond
5
E_NROTBONDS
3.408
Cactvs
xemistry.com
2012.11.26
3
Fingerprint
SubStructure Keys
16
extended 2
E_SCREEN
3.408
Cactvs
xemistry.com
2012.11.26
00000371E07B20000000000000000000000000000000000000003C608100000000000081D000001E00100000000C08C19E043CC092C81000A8033577540082802031022008D8213864D80820F2C09591842008609400C8C9071888808E00000000000200000000000000040000000000000000
IUPAC Name
Allowed
1
2.2.0
LexiChem
openeye.com
2012.11.26
3-phenyl-4-[2-(2-pyridyl)vinyl]-1H-quinolin-2-one
IUPAC Name
CAS-like Style
1
2.2.0
LexiChem
openeye.com
2012.11.26
3-phenyl-4-[2-(2-pyridinyl)ethenyl]-1H-quinolin-2-one
IUPAC Name
Preferred
1
2.2.0
LexiChem
openeye.com
2012.11.26
3-phenyl-4-(2-pyridin-2-ylethenyl)-1H-quinolin-2-one
IUPAC Name
Systematic
1
2.2.0
LexiChem
openeye.com
2012.11.26
3-phenyl-4-(2-pyridin-2-ylethenyl)-1H-quinolin-2-one
IUPAC Name
Traditional
1
2.2.0
LexiChem
openeye.com
2012.11.26
3-phenyl-4-[2-(2-pyridyl)vinyl]carbostyril
InChI
Standard
1
1.0.4
InChI
iupac.org
2012.11.26
InChI=1S/C22H16N2O/c25-22-21(16-8-2-1-3-9-16)19(14-13-17-10-6-7-15-23-17)18-11-4-5-12-20(18)24-22/h1-15H,(H,24,25)
InChIKey
Standard
1
1.0.4
InChI
iupac.org
2012.11.26
GYXXQNVMYFUTBE-UHFFFAOYSA-N
Log P
XLogP3-AA
7
3.0
sioc-ccbg.ac.cn
2012.11.26
3.8
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.11.26
324.126263
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2012.11.26
C22H16N2O
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.11.26
324.37524
SMILES
Canonical
1
1.9.0
OEChem
openeye.com
2012.11.26
C1=CC=C(C=C1)C2=C(C3=CC=CC=C3NC2=O)C=CC4=CC=CC=N4
SMILES
Isomeric
1
1.9.0
OEChem
openeye.com
2012.11.26
C1=CC=C(C=C1)C2=C(C3=CC=CC=C3NC2=O)C=CC4=CC=CC=N4
Topological
Polar Surface Area
7
E_TPSA
3.408
Cactvs
xemistry.com
2012.11.26
42
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.11.26
324.126263
25
0
0
0
1
0
1
0
1
2