15534726
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255
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3.732
5.4641
5.4641
4.5981
6.3301
6.3301
8.1301
8.1301
7.2241
7.2241
4.5981
3.732
4.5981
8.9942
8.9942
3.732
2.866
2.866
2
2
7.2169
7.2169
5.4641
8.6822
9.53
9.3063
9.3063
9.53
8.6822
2.866
2.866
1.4631
1.4631
4.5981
5.135
-1.75
-1.75
0.25
1.75
-1.25
-0.25
-1.2708
-0.2292
-1.7847
0.2847
-0.25
0.25
-1.25
-1.7742
0.2742
1.25
-0.25
1.75
0.25
1.25
-2.4046
0.9046
-2.37
-2.3099
-2.0862
-1.2384
-0.2616
0.5862
0.8099
-0.87
2.37
-0.06
1.56
2.37
1.44
8
8
8
8
8
8
8
8
8
8
8
8
8
8
8
8
8
2
2
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3
5
5
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11
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0
Compound
Canonicalized
5
2010.01.29
1
Compound Complexity
7
E_COMPLEXITY
3.384
Cactvs
xemistry.com
2011.09.13
420
Count
Hydrogen Bond Acceptor
5
E_NHACCEPTORS
3.384
Cactvs
xemistry.com
2011.09.13
3
Count
Hydrogen Bond Donor
5
E_NHDONORS
3.384
Cactvs
xemistry.com
2011.09.13
2
Count
Rotatable Bond
5
E_NROTBONDS
3.384
Cactvs
xemistry.com
2011.09.13
1
Fingerprint
SubStructure Keys
16
extended 2
E_SCREEN
3.384
Cactvs
xemistry.com
2011.09.13
00000371C07B2000000000000000000000000000000000000000306080000000000000814000001E00100000000C0881980032C082C00000A803257254008200002102000888012074980860B2C09591942008609400C8C8071C88808E88000040001200201000008000240040000000000000
IUPAC Name
Allowed
1
2.0.2
LexiChem
openeye.com
2011.09.13
3-(2-aminophenyl)-6,7-dimethyl-1H-quinoxalin-2-one
IUPAC Name
CAS-like Style
1
2.0.2
LexiChem
openeye.com
2011.09.13
3-(2-aminophenyl)-6,7-dimethyl-1H-quinoxalin-2-one
IUPAC Name
Preferred
1
2.0.2
LexiChem
openeye.com
2011.09.13
3-(2-aminophenyl)-6,7-dimethyl-1H-quinoxalin-2-one
IUPAC Name
Systematic
1
2.0.2
LexiChem
openeye.com
2011.09.13
3-(2-aminophenyl)-6,7-dimethyl-1H-quinoxalin-2-one
IUPAC Name
Traditional
1
2.0.2
LexiChem
openeye.com
2011.09.13
3-(2-aminophenyl)-6,7-dimethyl-1H-quinoxalin-2-one
InChI
Standard
1
1.0.3
InChI
nist.gov
2011.09.13
InChI=1S/C16H15N3O/c1-9-7-13-14(8-10(9)2)19-16(20)15(18-13)11-5-3-4-6-12(11)17/h3-8H,17H2,1-2H3,(H,19,20)
InChIKey
Standard
1
1.0.3
InChI
nist.gov
2011.09.13
GQUNLTCXTRCVIB-UHFFFAOYSA-N
Log P
XLogP3-AA
7
3.0
sioc-ccbg.ac.cn
2011.09.13
2.4
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
265.121512
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
C16H15N3O
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
265.3098
SMILES
Canonical
1
1.7.4
OEChem
openeye.com
2011.09.13
CC1=CC2=C(C=C1C)N=C(C(=O)N2)C3=CC=CC=C3N
SMILES
Isomeric
1
1.7.4
OEChem
openeye.com
2011.09.13
CC1=CC2=C(C=C1C)N=C(C(=O)N2)C3=CC=CC=C3N
Topological
Polar Surface Area
7
E_TPSA
3.384
Cactvs
xemistry.com
2011.09.13
67.5
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
265.121512
20
0
0
0
0
0
0
0
1
64