53558323
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32
8
7
7
7
6
6
6
6
6
6
6
6
6
6
6
6
6
6
6
1
1
1
1
1
1
1
1
1
1
1
1
1
1
2
2
2
3
3
4
4
4
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19
11
5
11
21
6
7
14
31
32
6
9
12
8
11
14
15
10
20
13
16
13
22
23
17
18
24
25
26
27
19
28
19
29
30
2
1
1
1
1
2
1
1
1
2
1
1
1
1
1
2
2
1
1
1
2
1
1
2
1
1
1
1
1
1
1
2
1
1
1
5
255
1
2
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3.732
5.4641
5.4641
4.5981
6.3301
6.3301
4.5981
3.732
7.2241
8.1301
4.5981
7.2241
8.1301
3.732
2.866
8.9942
2.866
2
2
7.2169
5.4641
7.2169
8.6659
2.866
8.6822
9.53
9.3063
2.866
1.4631
1.4631
4.5981
5.135
-1.75
-1.75
0.25
1.75
-1.25
-0.25
-0.25
0.25
-1.7847
-1.2708
-1.25
0.2847
-0.2292
1.25
-0.25
-1.7742
1.75
0.25
1.25
-2.4046
-2.37
0.9046
0.0829
-0.87
-2.3099
-2.0862
-1.2384
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
3
3
5
5
6
7
8
8
9
10
12
14
15
17
18
5
11
6
7
6
9
12
11
14
15
10
13
13
17
18
19
19
0
Compound
Canonicalized
5
2011.09.13
1
Compound Complexity
7
E_COMPLEXITY
3.384
Cactvs
xemistry.com
2011.12.21
393
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
00000371C0732000000000000000000000000000000000000000306080000000000000814000001E00100000000C0881980032C082C00000A803257254008200002102000888012074980860B2C09591942008609400C8C8071C88808E08000040000200201000008000040040000000000000
IUPAC Name
Allowed
1
2.1.0
LexiChem
openeye.com
2011.12.21
3-(2-aminophenyl)-7-methyl-1H-quinoxalin-2-one
IUPAC Name
CAS-like Style
1
2.1.0
LexiChem
openeye.com
2011.12.21
3-(2-aminophenyl)-7-methyl-1H-quinoxalin-2-one
IUPAC Name
Preferred
1
2.1.0
LexiChem
openeye.com
2011.12.21
3-(2-aminophenyl)-7-methyl-1H-quinoxalin-2-one
IUPAC Name
Systematic
1
2.1.0
LexiChem
openeye.com
2011.12.21
3-(2-aminophenyl)-7-methyl-1H-quinoxalin-2-one
IUPAC Name
Traditional
1
2.1.0
LexiChem
openeye.com
2011.12.21
3-(2-aminophenyl)-7-methyl-1H-quinoxalin-2-one
InChI
Standard
1
1.0.4
InChI
nist.gov
2011.12.21
InChI=1S/C15H13N3O/c1-9-6-7-12-13(8-9)18-15(19)14(17-12)10-4-2-3-5-11(10)16/h2-8H,16H2,1H3,(H,18,19)
InChIKey
Standard
1
1.0.4
InChI
nist.gov
2011.12.21
XZNXYDSURVZSTB-UHFFFAOYSA-N
Log P
XLogP3-AA
7
3.0
sioc-ccbg.ac.cn
2011.12.21
2
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.12.21
251.105862
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2011.12.21
C15H13N3O
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.12.21
251.28322
SMILES
Canonical
1
1.7.6
OEChem
openeye.com
2011.12.21
CC1=CC2=C(C=C1)N=C(C(=O)N2)C3=CC=CC=C3N
SMILES
Isomeric
1
1.7.6
OEChem
openeye.com
2011.12.21
CC1=CC2=C(C=C1)N=C(C(=O)N2)C3=CC=CC=C3N
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
251.105862
19
0
0
0
0
0
0
0
1
64