8256844
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7.2437
5.4641
4.5981
7.1962
7.1962
5.4641
6.3301
8.0622
8.0622
6.3301
5.4641
4.5981
6.3301
3.732
8.9561
8.9561
6.4347
9.8622
9.8622
7.9128
7.4128
3.732
2.866
8.9073
2.866
2
2
4.9272
7.1962
8.949
8.949
5.9739
10.3979
10.3979
7.665
4.269
2.866
8.8425
9.5239
8.9721
2.866
1.4631
1.4631
1.052
-2.0412
-1.5412
-2.0412
-0.0412
-0.0412
-0.5412
-1.5412
-0.5412
-1.5412
0.9588
-0.5412
1.4588
-0.0412
-2.0759
-0.0066
2.4533
-1.562
-0.5204
1.7952
2.6612
0.9588
-0.5412
1.6907
1.4588
-0.0412
0.9588
1.2688
-2.6612
-2.6958
0.6134
2.8682
-1.8741
-0.2083
3.2276
1.2688
-1.1612
1.0741
1.6259
2.3073
2.0788
-0.3512
1.2688
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0
Compound
Canonicalized
5
2010.01.29
1
Compound Complexity
7
E_COMPLEXITY
3.396
Cactvs
xemistry.com
2012.02.08
651
Count
Hydrogen Bond Acceptor
5
E_NHACCEPTORS
3.396
Cactvs
xemistry.com
2012.02.08
4
Count
Hydrogen Bond Donor
5
E_NHDONORS
3.396
Cactvs
xemistry.com
2012.02.08
1
Count
Rotatable Bond
5
E_NROTBONDS
3.396
Cactvs
xemistry.com
2012.02.08
4
Fingerprint
SubStructure Keys
16
extended 2
E_SCREEN
3.396
Cactvs
xemistry.com
2012.02.08
00000371E07B300040000000000000000000000000012000000030608000000000000081D000001E04100000000C0C81D80032C182C00008AC03A5725400830080250A104888192074D8086032E09591942108609400E8C9871D88808E00000000000000200000000000000040000000000000
IUPAC Name
Allowed
1
2.1.0
LexiChem
openeye.com
2012.02.08
3-[(E)-1-benzoyl-2-(5-methyl-2-thienyl)vinyl]-1H-quinoxalin-2-one
IUPAC Name
CAS-like Style
1
2.1.0
LexiChem
openeye.com
2012.02.08
3-[(E)-1-(5-methyl-2-thiophenyl)-3-oxo-3-phenylprop-1-en-2-yl]-1H-quinoxalin-2-one
IUPAC Name
Preferred
1
2.1.0
LexiChem
openeye.com
2012.02.08
3-[(E)-1-(5-methylthiophen-2-yl)-3-oxo-3-phenylprop-1-en-2-yl]-1H-quinoxalin-2-one
IUPAC Name
Systematic
1
2.1.0
LexiChem
openeye.com
2012.02.08
3-[(E)-1-(5-methylthiophen-2-yl)-3-oxidanylidene-3-phenyl-prop-1-en-2-yl]-1H-quinoxalin-2-one
IUPAC Name
Traditional
1
2.1.0
LexiChem
openeye.com
2012.02.08
3-[(E)-1-benzoyl-2-(5-methyl-2-thienyl)vinyl]-1H-quinoxalin-2-one
InChI
Standard
1
1.0.4
InChI
iupac.org
2012.02.08
InChI=1S/C22H16N2O2S/c1-14-11-12-16(27-14)13-17(21(25)15-7-3-2-4-8-15)20-22(26)24-19-10-6-5-9-18(19)23-20/h2-13H,1H3,(H,24,26)/b17-13+
InChIKey
Standard
1
1.0.4
InChI
iupac.org
2012.02.08
RJSVKCHTUZHISD-GHRIWEEISA-N
Log P
XLogP3-AA
7
3.0
sioc-ccbg.ac.cn
2012.02.08
4.4
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.02.08
372.093249
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2012.02.08
C22H16N2O2S
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.02.08
372.43964
SMILES
Canonical
1
1.7.6
OEChem
openeye.com
2012.02.08
CC1=CC=C(S1)C=C(C2=NC3=CC=CC=C3NC2=O)C(=O)C4=CC=CC=C4
SMILES
Isomeric
1
1.7.6
OEChem
openeye.com
2012.02.08
CC1=CC=C(S1)/C=C(\C2=NC3=CC=CC=C3NC2=O)/C(=O)C4=CC=CC=C4
Topological
Polar Surface Area
7
E_TPSA
3.396
Cactvs
xemistry.com
2012.02.08
86.8
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.02.08
372.093249
27
0
0
0
1
1
0
0
1
3