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6.4347
4.5981
4.5981
6.3301
6.3301
5.4641
4.5981
5.4641
4.5981
3.732
2.866
7.1962
7.1962
3.732
5.4641
2.866
8.0901
8.0901
2
5.4641
8.9962
8.9962
6.3301
7.2437
7.9128
7.4128
3.732
3.732
2.3291
6.3301
6.001
8.0829
8.0829
1.69
1.4631
2.31
9.5319
9.5319
7.3726
8.5294
7.665
3.2033
-2.7912
2.2088
-2.7912
-0.7912
0.7088
-0.7912
-1.2912
0.2088
-1.2912
-0.7912
-2.2912
-1.2912
0.7088
-2.2912
0.2088
-2.8259
-0.7566
-1.2912
1.7088
-2.312
-1.2704
2.2088
1.802
2.5452
3.4112
-1.9112
1.3288
0.5188
-3.4112
0.3988
-3.4458
-0.1366
-0.7543
-1.6012
-1.8282
-2.6241
-0.9583
1.1956
2.4804
3.9776
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0
Compound
Canonicalized
5
2011.04.04
1
Compound Complexity
7
E_COMPLEXITY
3.396
Cactvs
xemistry.com
2012.02.08
594
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
2
Count
Rotatable Bond
5
E_NROTBONDS
3.396
Cactvs
xemistry.com
2012.02.08
3
Fingerprint
SubStructure Keys
16
extended 2
E_SCREEN
3.396
Cactvs
xemistry.com
2012.02.08
00000371C07B300040000000000000000000000000012000000030608000000000000081D000001E04100000000C0885D800B2C182C00008AC0325725400830080250A104888192074D80860B2E09591942108609400E8C9871C88C08E08000200000200201000040000040040000000000000
IUPAC Name
Allowed
1
2.1.0
LexiChem
openeye.com
2012.02.08
N-[4-methyl-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]thiophene-2-carboxamide
IUPAC Name
CAS-like Style
1
2.1.0
LexiChem
openeye.com
2012.02.08
N-[4-methyl-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]-2-thiophenecarboxamide
IUPAC Name
Preferred
1
2.1.0
LexiChem
openeye.com
2012.02.08
N-[4-methyl-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]thiophene-2-carboxamide
IUPAC Name
Systematic
1
2.1.0
LexiChem
openeye.com
2012.02.08
N-[4-methyl-2-(3-oxidanylidene-4H-quinoxalin-2-yl)phenyl]thiophene-2-carboxamide
IUPAC Name
Traditional
1
2.1.0
LexiChem
openeye.com
2012.02.08
N-[2-(3-keto-4H-quinoxalin-2-yl)-4-methyl-phenyl]thiophene-2-carboxamide
InChI
Standard
1
1.0.4
InChI
iupac.org
2012.02.08
InChI=1S/C20H15N3O2S/c1-12-8-9-14(22-19(24)17-7-4-10-26-17)13(11-12)18-20(25)23-16-6-3-2-5-15(16)21-18/h2-11H,1H3,(H,22,24)(H,23,25)
InChIKey
Standard
1
1.0.4
InChI
iupac.org
2012.02.08
MTPLAVMIMIGCBW-UHFFFAOYSA-N
Log P
XLogP3-AA
7
3.0
sioc-ccbg.ac.cn
2012.02.08
3.6
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.02.08
361.088498
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2012.02.08
C20H15N3O2S
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.02.08
361.417
SMILES
Canonical
1
1.7.6
OEChem
openeye.com
2012.02.08
CC1=CC(=C(C=C1)NC(=O)C2=CC=CS2)C3=NC4=CC=CC=C4NC3=O
SMILES
Isomeric
1
1.7.6
OEChem
openeye.com
2012.02.08
CC1=CC(=C(C=C1)NC(=O)C2=CC=CS2)C3=NC4=CC=CC=C4NC3=O
Topological
Polar Surface Area
7
E_TPSA
3.396
Cactvs
xemistry.com
2012.02.08
98.8
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.02.08
361.088498
26
0
0
0
0
0
0
0
1
14