53558289
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5
255
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4.5981
6.3301
6.3301
5.4641
4.5981
7.1962
5.4641
7.1962
5.4641
4.5981
8.0901
3.732
8.9962
2.866
8.0901
8.9962
3.732
2.866
9.8602
2
6.3301
8.0829
3.732
8.0829
9.5319
3.732
2.3291
9.5482
10.396
10.1723
1.69
1.4631
2.31
5.4641
6.001
-1.75
-1.75
0.25
1.75
0.25
-1.25
-0.25
-0.25
-1.25
1.25
-1.7847
-0.25
-1.2708
0.25
0.2847
-0.2292
1.75
1.25
-1.7742
-0.25
-2.37
-2.4046
-0.87
0.9046
0.0829
2.37
1.56
-2.3099
-2.0862
-1.2384
0.2869
-0.56
-0.7869
2.37
1.44
8
8
8
8
8
8
8
8
8
8
8
8
8
8
8
8
8
2
2
3
3
5
5
6
6
7
8
10
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17
6
9
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15
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18
0
Compound
Canonicalized
5
2011.09.13
1
Compound Complexity
7
E_COMPLEXITY
3.384
Cactvs
xemistry.com
2011.12.21
420
Count
Hydrogen Bond Acceptor
5
E_NHACCEPTORS
3.384
Cactvs
xemistry.com
2011.12.21
3
Count
Hydrogen Bond Donor
5
E_NHDONORS
3.384
Cactvs
xemistry.com
2011.12.21
2
Count
Rotatable Bond
5
E_NROTBONDS
3.384
Cactvs
xemistry.com
2011.12.21
1
Fingerprint
SubStructure Keys
16
extended 2
E_SCREEN
3.384
Cactvs
xemistry.com
2011.12.21
00000371C07B2000000000000000000000000000000000000000306080000000000000814000001E00100000000C0881980032C082C00000A803257254008200002102000888012074980860B2C09591942008609400C8C8071C88C08E08000240000200201000048000040040000000000000
IUPAC Name
Allowed
1
2.1.0
LexiChem
openeye.com
2011.12.21
3-(2-amino-5-methyl-phenyl)-7-methyl-1H-quinoxalin-2-one
IUPAC Name
CAS-like Style
1
2.1.0
LexiChem
openeye.com
2011.12.21
3-(2-amino-5-methylphenyl)-7-methyl-1H-quinoxalin-2-one
IUPAC Name
Preferred
1
2.1.0
LexiChem
openeye.com
2011.12.21
3-(2-amino-5-methylphenyl)-7-methyl-1H-quinoxalin-2-one
IUPAC Name
Systematic
1
2.1.0
LexiChem
openeye.com
2011.12.21
3-(2-azanyl-5-methyl-phenyl)-7-methyl-1H-quinoxalin-2-one
IUPAC Name
Traditional
1
2.1.0
LexiChem
openeye.com
2011.12.21
3-(2-amino-5-methyl-phenyl)-7-methyl-1H-quinoxalin-2-one
InChI
Standard
1
1.0.4
InChI
nist.gov
2011.12.21
InChI=1S/C16H15N3O/c1-9-3-5-12(17)11(7-9)15-16(20)19-14-8-10(2)4-6-13(14)18-15/h3-8H,17H2,1-2H3,(H,19,20)
InChIKey
Standard
1
1.0.4
InChI
nist.gov
2011.12.21
SDSAPZLHAWIWIM-UHFFFAOYSA-N
Log P
XLogP3-AA
7
3.0
sioc-ccbg.ac.cn
2011.12.21
2.4
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.12.21
265.121512
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2011.12.21
C16H15N3O
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.12.21
265.3098
SMILES
Canonical
1
1.7.6
OEChem
openeye.com
2011.12.21
CC1=CC(=C(C=C1)N)C2=NC3=C(C=C(C=C3)C)NC2=O
SMILES
Isomeric
1
1.7.6
OEChem
openeye.com
2011.12.21
CC1=CC(=C(C=C1)N)C2=NC3=C(C=C(C=C3)C)NC2=O
Topological
Polar Surface Area
7
E_TPSA
3.384
Cactvs
xemistry.com
2011.12.21
67.5
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.12.21
265.121512
20
0
0
0
0
0
0
0
1
188