53347948
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255
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3.732
3.732
4.5981
5.4641
5.4641
5.4641
5.4641
6.3301
6.3301
7.1962
7.1962
4.5981
3.732
3.732
2.866
4.5981
2.866
2
2
4.5981
6.3301
6.3301
7.2241
7.2241
8.1301
8.1301
5.4641
5.9316
6.7287
5.252
4.8535
6.7287
5.9316
7.4082
7.8067
7.8067
7.4082
5.135
2.866
2.866
1.4631
1.4631
5.4641
7.2169
7.2169
8.6659
8.6659
2.06
-2.94
0.56
-0.94
-2.94
2.06
3.06
1.56
3.56
2.06
3.06
1.56
0.06
-0.94
0.56
-1.44
-1.44
0.06
-0.94
-2.44
-1.44
-2.44
-0.9053
-2.9747
-1.4192
-2.4608
1.44
1.085
1.085
3.6426
2.9523
4.035
4.035
1.4774
2.1677
2.9523
3.6426
0.25
1.18
-2.06
0.37
-1.25
-3.56
-0.2854
-3.5946
-1.1071
-2.7729
8
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4
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13
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26
0
Compound
Canonicalized
5
2011.09.13
1
Compound Complexity
7
E_COMPLEXITY
3.408
Cactvs
xemistry.com
2012.11.26
568
Count
Hydrogen Bond Acceptor
5
E_NHACCEPTORS
3.408
Cactvs
xemistry.com
2012.11.26
3
Count
Hydrogen Bond Donor
5
E_NHDONORS
3.408
Cactvs
xemistry.com
2012.11.26
2
Count
Rotatable Bond
5
E_NROTBONDS
3.408
Cactvs
xemistry.com
2012.11.26
3
Fingerprint
SubStructure Keys
16
extended 2
E_SCREEN
3.408
Cactvs
xemistry.com
2012.11.26
00000371E07B30000000000000000000000000000000000000003060C1000000000000814000001E00100000000D0881980030C082C00000A803257254008200002102000888012074980860B2C09591942008609400C8C8071C88808E00000000000200200000000000040040000000000000
IUPAC Name
Allowed
1
2.2.0
LexiChem
openeye.com
2012.11.26
N-[2-(3-oxo-4H-quinoxalin-2-yl)phenyl]cyclohexanecarboxamide
IUPAC Name
CAS-like Style
1
2.2.0
LexiChem
openeye.com
2012.11.26
N-[2-(3-oxo-4H-quinoxalin-2-yl)phenyl]cyclohexanecarboxamide
IUPAC Name
Preferred
1
2.2.0
LexiChem
openeye.com
2012.11.26
N-[2-(3-oxo-4H-quinoxalin-2-yl)phenyl]cyclohexanecarboxamide
IUPAC Name
Systematic
1
2.2.0
LexiChem
openeye.com
2012.11.26
N-[2-(3-oxidanylidene-4H-quinoxalin-2-yl)phenyl]cyclohexanecarboxamide
IUPAC Name
Traditional
1
2.2.0
LexiChem
openeye.com
2012.11.26
N-[2-(3-keto-4H-quinoxalin-2-yl)phenyl]cyclohexanecarboxamide
InChI
Standard
1
1.0.4
InChI
iupac.org
2012.11.26
InChI=1S/C21H21N3O2/c25-20(14-8-2-1-3-9-14)23-16-11-5-4-10-15(16)19-21(26)24-18-13-7-6-12-17(18)22-19/h4-7,10-14H,1-3,8-9H2,(H,23,25)(H,24,26)
InChIKey
Standard
1
1.0.4
InChI
iupac.org
2012.11.26
DBBVGZKEJUDYAH-UHFFFAOYSA-N
Log P
XLogP3-AA
7
3.0
sioc-ccbg.ac.cn
2012.11.26
3.6
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.11.26
347.163377
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2012.11.26
C21H21N3O2
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.11.26
347.41034
SMILES
Canonical
1
1.9.0
OEChem
openeye.com
2012.11.26
C1CCC(CC1)C(=O)NC2=CC=CC=C2C3=NC4=CC=CC=C4NC3=O
SMILES
Isomeric
1
1.9.0
OEChem
openeye.com
2012.11.26
C1CCC(CC1)C(=O)NC2=CC=CC=C2C3=NC4=CC=CC=C4NC3=O
Topological
Polar Surface Area
7
E_TPSA
3.408
Cactvs
xemistry.com
2012.11.26
70.6
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.11.26
347.163377
26
0
0
0
0
0
0
0
1
18