3163694
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3.732
3.732
5.4641
5.4641
4.5981
3.732
6.3301
4.5981
6.3301
3.732
4.5981
7.2241
8.1301
7.2241
2.866
8.1301
2.866
2
2
8.9942
4.5981
5.4641
5.4641
5.4641
7.2169
7.2169
2.866
8.6659
2.866
5.135
1.4631
1.4631
8.6822
9.53
9.3063
5.6762
6.0747
6.0841
5.4641
4.8441
-2.69
2.31
-2.69
-0.69
0.81
-0.69
-2.19
-1.19
-1.19
0.31
-2.19
-2.7247
-2.2108
-0.6553
-1.19
-1.1692
0.81
-0.69
0.31
-2.7142
1.81
2.31
3.31
-3.31
-3.3446
-0.0354
-1.81
-0.8571
1.43
0.5
-1
0.62
-3.2499
-3.0262
-2.1784
1.7274
2.4177
3.31
3.93
3.31
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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
503
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
3
Fingerprint
SubStructure Keys
16
extended 2
E_SCREEN
3.384
Cactvs
xemistry.com
2011.09.13
00000371E07B3000000000000000000000000000000000000000306080000000000000814000001E00100000000C0881980032C082C00000A803257254008200002102000888012074980860B2C09591942008609400C8C8071C88808E08000040000200201000008000040040000000000000
IUPAC Name
Allowed
1
2.0.2
LexiChem
openeye.com
2011.09.13
N-[2-(6-methyl-3-oxo-4H-quinoxalin-2-yl)phenyl]propanamide
IUPAC Name
CAS-like Style
1
2.0.2
LexiChem
openeye.com
2011.09.13
N-[2-(6-methyl-3-oxo-4H-quinoxalin-2-yl)phenyl]propanamide
IUPAC Name
Preferred
1
2.0.2
LexiChem
openeye.com
2011.09.13
N-[2-(6-methyl-3-oxo-4H-quinoxalin-2-yl)phenyl]propanamide
IUPAC Name
Systematic
1
2.0.2
LexiChem
openeye.com
2011.09.13
N-[2-(6-methyl-3-oxidanylidene-4H-quinoxalin-2-yl)phenyl]propanamide
IUPAC Name
Traditional
1
2.0.2
LexiChem
openeye.com
2011.09.13
N-[2-(3-keto-6-methyl-4H-quinoxalin-2-yl)phenyl]propionamide
InChI
Standard
1
1.0.3
InChI
nist.gov
2011.09.13
InChI=1S/C18H17N3O2/c1-3-16(22)19-13-7-5-4-6-12(13)17-18(23)21-15-10-11(2)8-9-14(15)20-17/h4-10H,3H2,1-2H3,(H,19,22)(H,21,23)
InChIKey
Standard
1
1.0.3
InChI
nist.gov
2011.09.13
QLGXIJYGIYAPPK-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
307.132077
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
C18H17N3O2
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
307.34648
SMILES
Canonical
1
1.7.4
OEChem
openeye.com
2011.09.13
CCC(=O)NC1=CC=CC=C1C2=NC3=C(C=C(C=C3)C)NC2=O
SMILES
Isomeric
1
1.7.4
OEChem
openeye.com
2011.09.13
CCC(=O)NC1=CC=CC=C1C2=NC3=C(C=C(C=C3)C)NC2=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
307.132077
23
0
0
0
0
0
0
0
1
132