3163403
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8
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6
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6
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6
6
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1
1
1
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1
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1
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25
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34
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32
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2
2
1
1
1
1
1
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1
1
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2
2
1
1
2
2
1
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5
255
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3.732
3.732
4.5981
5.4641
5.4641
5.4641
3.732
3.732
4.5981
4.5981
6.3301
6.3301
5.4641
6.3301
4.5981
2.866
2.866
2
2
7.2241
7.2241
8.1301
8.1301
5.4641
5.135
6.0841
5.4641
6.0201
6.8671
6.6401
4.8441
2.866
2.866
5.4641
1.4631
1.4631
7.2169
7.2169
8.6659
8.6659
2.31
-2.69
0.81
-2.69
-0.69
2.31
-0.69
0.31
-1.19
1.81
-2.19
-1.19
3.31
1.81
-2.19
-1.19
0.81
-0.69
0.31
-2.7247
-0.6553
-2.2108
-1.1692
1.69
0.5
3.31
3.93
1.2731
1.5
2.3469
3.31
-1.81
1.43
-3.31
-1
0.62
-3.3446
-0.0354
-2.5229
-0.8571
8
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8
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23
0
Compound
Canonicalized
5
2011.04.04
1
Compound Complexity
7
E_COMPLEXITY
3.384
Cactvs
xemistry.com
2011.09.13
501
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
00000371E07B3000000000000000000000000000000000000000306080000000000000814000001E00100000000D0881980032C082C00000A803257254008200002102000888012074980860B2C09591942008609400C8C8071C88808E00000000000200200000000000040040000000000000
IUPAC Name
Allowed
1
2.0.2
LexiChem
openeye.com
2011.09.13
2-methyl-N-[2-(3-oxo-4H-quinoxalin-2-yl)phenyl]propanamide
IUPAC Name
CAS-like Style
1
2.0.2
LexiChem
openeye.com
2011.09.13
2-methyl-N-[2-(3-oxo-4H-quinoxalin-2-yl)phenyl]propanamide
IUPAC Name
Preferred
1
2.0.2
LexiChem
openeye.com
2011.09.13
2-methyl-N-[2-(3-oxo-4H-quinoxalin-2-yl)phenyl]propanamide
IUPAC Name
Systematic
1
2.0.2
LexiChem
openeye.com
2011.09.13
2-methyl-N-[2-(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-4H-quinoxalin-2-yl)phenyl]-2-methyl-propionamide
InChI
Standard
1
1.0.3
InChI
nist.gov
2011.09.13
InChI=1S/C18H17N3O2/c1-11(2)17(22)20-13-8-4-3-7-12(13)16-18(23)21-15-10-6-5-9-14(15)19-16/h3-11H,1-2H3,(H,20,22)(H,21,23)
InChIKey
Standard
1
1.0.3
InChI
nist.gov
2011.09.13
GJPZDGGDOQHTOR-UHFFFAOYSA-N
Log P
XLogP3-AA
7
3.0
sioc-ccbg.ac.cn
2011.09.13
2.6
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
CC(C)C(=O)NC1=CC=CC=C1C2=NC3=CC=CC=C3NC2=O
SMILES
Isomeric
1
1.7.4
OEChem
openeye.com
2011.09.13
CC(C)C(=O)NC1=CC=CC=C1C2=NC3=CC=CC=C3NC2=O
Topological
Polar Surface Area
7
E_TPSA
3.384
Cactvs
xemistry.com
2011.09.13
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
18