3163405
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255
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3.732
3.732
4.5981
5.4641
5.4641
5.4641
4.5981
6.3301
4.9641
5.9641
3.732
3.732
4.5981
2.866
2.866
6.3301
6.3301
4.5981
2
2
7.2241
7.2241
8.1301
8.1301
6.6401
5.4272
6.2741
6.501
5.501
4.6541
4.4272
6.8671
6.0201
5.135
2.866
2.866
5.4641
1.4631
1.4631
7.2169
7.2169
8.6659
8.6659
2.377
-2.623
0.877
-2.623
-0.623
2.377
1.877
2.877
3.243
1.511
0.377
-0.623
-1.123
0.877
-1.123
-2.123
-1.123
-2.123
0.377
-0.623
-2.6577
-0.5884
-2.1438
-1.1022
2.3401
1.201
0.974
1.821
3.553
3.78
2.933
3.187
3.4139
0.567
1.497
-1.743
-3.243
0.687
-0.933
-3.2776
0.0316
-2.4559
-0.7901
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0
Compound
Canonicalized
5
2011.04.04
1
Compound Complexity
7
E_COMPLEXITY
3.384
Cactvs
xemistry.com
2011.04.04
535
Count
Hydrogen Bond Acceptor
5
E_NHACCEPTORS
3.384
Cactvs
xemistry.com
2011.04.04
3
Count
Hydrogen Bond Donor
5
E_NHDONORS
3.384
Cactvs
xemistry.com
2011.04.04
2
Count
Rotatable Bond
5
E_NROTBONDS
3.384
Cactvs
xemistry.com
2011.04.04
3
Fingerprint
SubStructure Keys
16
extended 2
E_SCREEN
3.384
Cactvs
xemistry.com
2011.04.04
00000371E07B3000000000000000000000000000000000000000306080000000000000814000001E00100000000E0881980032C082C00000A803257254008200002102000888012074980860B2C09591942008609400C8C8071C88808E00000000000200200000000000040040000000000000
IUPAC Name
Allowed
1
2.0.2
LexiChem
openeye.com
2011.04.04
2,2-dimethyl-N-[2-(3-oxo-4H-quinoxalin-2-yl)phenyl]propanamide
IUPAC Name
CAS-like Style
1
2.0.2
LexiChem
openeye.com
2011.04.04
2,2-dimethyl-N-[2-(3-oxo-4H-quinoxalin-2-yl)phenyl]propanamide
IUPAC Name
Preferred
1
2.0.2
LexiChem
openeye.com
2011.04.04
2,2-dimethyl-N-[2-(3-oxo-4H-quinoxalin-2-yl)phenyl]propanamide
IUPAC Name
Systematic
1
2.0.2
LexiChem
openeye.com
2011.04.04
2,2-dimethyl-N-[2-(3-oxidanylidene-4H-quinoxalin-2-yl)phenyl]propanamide
IUPAC Name
Traditional
1
2.0.2
LexiChem
openeye.com
2011.04.04
N-[2-(3-keto-4H-quinoxalin-2-yl)phenyl]-2,2-dimethyl-propionamide
InChI
Standard
1
1.0.3
InChI
nist.gov
2011.04.04
InChI=1S/C19H19N3O2/c1-19(2,3)18(24)22-13-9-5-4-8-12(13)16-17(23)21-15-11-7-6-10-14(15)20-16/h4-11H,1-3H3,(H,21,23)(H,22,24)
InChIKey
Standard
1
1.0.3
InChI
nist.gov
2011.04.04
JTQRBGJBVDYTOY-UHFFFAOYSA-N
Log P
XLogP3-AA
7
3.0
sioc-ccbg.ac.cn
2011.04.04
2.9
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.04.04
321.147727
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2011.04.04
C19H19N3O2
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.04.04
321.37306
SMILES
Canonical
1
1.7.4
OEChem
openeye.com
2011.04.04
CC(C)(C)C(=O)NC1=CC=CC=C1C2=NC3=CC=CC=C3NC2=O
SMILES
Isomeric
1
1.7.4
OEChem
openeye.com
2011.04.04
CC(C)(C)C(=O)NC1=CC=CC=C1C2=NC3=CC=CC=C3NC2=O
Topological
Polar Surface Area
7
E_TPSA
3.384
Cactvs
xemistry.com
2011.04.04
70.6
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.04.04
321.147727
24
0
0
0
0
0
0
0
1
10