10869644
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255
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5.4641
3.732
7.1962
7.1962
2.866
6.3301
5.4641
8.0622
8.0622
6.3301
5.4641
4.5981
3.732
8.9561
4.5981
3.732
8.9561
9.8622
9.8622
2.866
2
7.1962
6.001
4.5981
4.5981
3.1951
8.949
8.949
10.3979
10.3979
2.3291
2.31
1.4631
1.69
-2.19
2.81
-2.19
-0.19
1.31
-0.69
-0.19
-1.69
-0.69
-1.69
0.81
-0.69
0.81
-2.2247
1.31
-0.19
-0.1553
-1.7108
-0.6692
2.31
2.81
-2.81
1.12
-1.31
1.93
-0.5
-2.8446
0.4646
-2.0229
-0.3571
1
3.3469
3.12
2.2731
8
8
8
8
8
8
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8
8
8
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8
8
8
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8
8
3
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0
Compound
Canonicalized
5
2011.04.04
1
Compound Complexity
7
E_COMPLEXITY
3.384
Cactvs
xemistry.com
2011.09.13
452
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
2
Fingerprint
SubStructure Keys
16
extended 2
E_SCREEN
3.384
Cactvs
xemistry.com
2011.09.13
00000371C07B3000000000000000000000000000000000000000306080000000000000814000001E00100000000C0881980032C082C00000A803257254008200002102000888012074980860B2C09591942008609400C8C8071888808E08000000000000201000000000000040000000000000
IUPAC Name
Allowed
1
2.0.2
LexiChem
openeye.com
2011.09.13
N-[4-(3-oxo-4H-quinoxalin-2-yl)phenyl]acetamide
IUPAC Name
CAS-like Style
1
2.0.2
LexiChem
openeye.com
2011.09.13
N-[4-(3-oxo-4H-quinoxalin-2-yl)phenyl]acetamide
IUPAC Name
Preferred
1
2.0.2
LexiChem
openeye.com
2011.09.13
N-[4-(3-oxo-4H-quinoxalin-2-yl)phenyl]acetamide
IUPAC Name
Systematic
1
2.0.2
LexiChem
openeye.com
2011.09.13
N-[4-(3-oxidanylidene-4H-quinoxalin-2-yl)phenyl]ethanamide
IUPAC Name
Traditional
1
2.0.2
LexiChem
openeye.com
2011.09.13
N-[4-(3-keto-4H-quinoxalin-2-yl)phenyl]acetamide
InChI
Standard
1
1.0.3
InChI
nist.gov
2011.09.13
InChI=1S/C16H13N3O2/c1-10(20)17-12-8-6-11(7-9-12)15-16(21)19-14-5-3-2-4-13(14)18-15/h2-9H,1H3,(H,17,20)(H,19,21)
InChIKey
Standard
1
1.0.3
InChI
nist.gov
2011.09.13
GMKWKROQLGAJDO-UHFFFAOYSA-N
Log P
XLogP3-AA
7
3.0
sioc-ccbg.ac.cn
2011.09.13
1.5
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
279.100777
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
C16H13N3O2
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
279.29332
SMILES
Canonical
1
1.7.4
OEChem
openeye.com
2011.09.13
CC(=O)NC1=CC=C(C=C1)C2=NC3=CC=CC=C3NC2=O
SMILES
Isomeric
1
1.7.4
OEChem
openeye.com
2011.09.13
CC(=O)NC1=CC=C(C=C1)C2=NC3=CC=CC=C3NC2=O
Topological
Polar Surface Area
7
E_TPSA
3.384
Cactvs
xemistry.com
2011.09.13
70.6
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
279.100777
21
0
0
0
0
0
0
0
1
14