53377442
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6.4347
2
4.5981
4.5981
6.3301
6.3301
5.4641
4.5981
5.4641
4.5981
7.1962
7.1962
5.4641
3.732
3.732
8.0901
8.0901
2.866
2.866
8.9962
8.9962
5.4641
6.3301
7.2437
7.9128
7.4128
6.3301
3.732
3.732
6.001
8.0829
8.0829
2.3291
9.5319
9.5319
7.3726
8.5294
7.665
3.2033
-1.2912
-2.7912
2.2088
-2.7912
-0.7912
0.7088
-0.7912
-1.2912
0.2088
-2.2912
-1.2912
-2.2912
-1.2912
0.7088
-2.8259
-0.7566
-0.7912
0.2088
-2.312
-1.2704
1.7088
2.2088
1.802
2.5452
3.4112
-3.4112
-1.9112
1.3288
0.3988
-3.4458
-0.1366
0.5188
-2.6241
-0.9583
1.1956
2.4804
3.9776
8
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0
Compound
Canonicalized
5
2011.09.13
1
Compound Complexity
7
E_COMPLEXITY
3.408
Cactvs
xemistry.com
2012.11.26
599
Count
Hydrogen Bond Acceptor
5
E_NHACCEPTORS
3.408
Cactvs
xemistry.com
2012.11.26
5
Count
Hydrogen Bond Donor
5
E_NHDONORS
3.408
Cactvs
xemistry.com
2012.11.26
2
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
00000371C07B310040000000000000000000000000012000000030608000000000000081D000001F04100000000C0885D808B0C182C00008AC0325725400830080250A104888192074D80860B2E09591942108609400E8C9871C88808E00000000000200200000000000040040000000000000
IUPAC Name
Allowed
1
2.2.0
LexiChem
openeye.com
2012.11.26
N-[4-fluoro-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]thiophene-2-carboxamide
IUPAC Name
CAS-like Style
1
2.2.0
LexiChem
openeye.com
2012.11.26
N-[4-fluoro-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]-2-thiophenecarboxamide
IUPAC Name
Preferred
1
2.2.0
LexiChem
openeye.com
2012.11.26
N-[4-fluoro-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]thiophene-2-carboxamide
IUPAC Name
Systematic
1
2.2.0
LexiChem
openeye.com
2012.11.26
N-[4-fluoranyl-2-(3-oxidanylidene-4H-quinoxalin-2-yl)phenyl]thiophene-2-carboxamide
IUPAC Name
Traditional
1
2.2.0
LexiChem
openeye.com
2012.11.26
N-[4-fluoro-2-(3-keto-4H-quinoxalin-2-yl)phenyl]thiophene-2-carboxamide
InChI
Standard
1
1.0.4
InChI
iupac.org
2012.11.26
InChI=1S/C19H12FN3O2S/c20-11-7-8-13(22-18(24)16-6-3-9-26-16)12(10-11)17-19(25)23-15-5-2-1-4-14(15)21-17/h1-10H,(H,22,24)(H,23,25)
InChIKey
Standard
1
1.0.4
InChI
iupac.org
2012.11.26
NJOKVPWLLKQMQX-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
365.063426
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2012.11.26
C19H12FN3O2S
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.11.26
365.380883
SMILES
Canonical
1
1.9.0
OEChem
openeye.com
2012.11.26
C1=CC=C2C(=C1)NC(=O)C(=N2)C3=C(C=CC(=C3)F)NC(=O)C4=CC=CS4
SMILES
Isomeric
1
1.9.0
OEChem
openeye.com
2012.11.26
C1=CC=C2C(=C1)NC(=O)C(=N2)C3=C(C=CC(=C3)F)NC(=O)C4=CC=CS4
Topological
Polar Surface Area
7
E_TPSA
3.408
Cactvs
xemistry.com
2012.11.26
98.8
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.11.26
365.063426
26
0
0
0
0
0
0
0
1
10