53383107
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40
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7
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255
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7.1962
3.732
5.4641
6.3301
5.4641
2.866
5.4641
6.3301
6.3301
4.5981
7.1962
7.1962
4.5981
8.0622
6.3301
4.5981
8.0622
7.2241
3.732
4.5981
7.2241
3.732
8.1301
8.1301
8.9282
2.866
3.732
2.866
3.732
2
2.866
2
6.001
6.5856
6.9841
7.8067
7.4082
8.6728
8.2742
5.7932
7.4516
7.8501
7.2169
3.732
5.135
7.2169
8.6659
8.6659
8.6182
9.4651
9.2382
2.3291
3.732
2.866
4.269
1.4631
2.866
1.4631
0.25
1.25
1.25
-1.25
3.25
-1.25
0.25
1.75
-0.25
-0.25
-2.75
-1.75
1.75
-3.25
2.75
2.75
-4.25
1.2153
0.25
-1.25
3.2847
3.25
1.7292
2.7708
-4.75
-0.25
-1.75
2.75
4.25
3.25
4.75
4.25
0.56
-2.6423
-3.3326
-1.8577
-1.1674
-3.3577
-2.6674
-1.56
-4.1423
-4.8326
0.5954
0.87
-1.56
3.9046
1.4171
3.0829
-5.2869
-5.06
-4.2131
0.06
-2.37
2.13
4.56
2.94
5.37
4.56
8
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0
Compound
Canonicalized
5
2011.09.13
1
Compound Complexity
7
E_COMPLEXITY
3.384
Cactvs
xemistry.com
2011.12.21
667
Count
Hydrogen Bond Acceptor
5
E_NHACCEPTORS
3.384
Cactvs
xemistry.com
2011.12.21
4
Count
Hydrogen Bond Donor
5
E_NHDONORS
3.384
Cactvs
xemistry.com
2011.12.21
1
Count
Rotatable Bond
5
E_NROTBONDS
3.384
Cactvs
xemistry.com
2011.12.21
8
Fingerprint
SubStructure Keys
16
extended 2
E_SCREEN
3.384
Cactvs
xemistry.com
2011.12.21
00000371E07BB0000000000000000000000000000000000000003C608100000000000081D000001E00100000000C28C19A043EC093C81000A8033577540082802031022008D8A1B874980860F2C095B1942008609600C8C8071889808E00000000000000200000000000000040000000000000
IUPAC Name
Allowed
1
2.1.0
LexiChem
openeye.com
2011.12.21
2-(2-oxo-3-phenyl-quinoxalin-1-yl)-N-pentyl-2-(4-pyridyl)acetamide
IUPAC Name
CAS-like Style
1
2.1.0
LexiChem
openeye.com
2011.12.21
2-(2-oxo-3-phenyl-1-quinoxalinyl)-N-pentyl-2-pyridin-4-ylacetamide
IUPAC Name
Preferred
1
2.1.0
LexiChem
openeye.com
2011.12.21
2-(2-oxo-3-phenylquinoxalin-1-yl)-N-pentyl-2-pyridin-4-ylacetamide
IUPAC Name
Systematic
1
2.1.0
LexiChem
openeye.com
2011.12.21
2-(2-oxidanylidene-3-phenyl-quinoxalin-1-yl)-N-pentyl-2-pyridin-4-yl-ethanamide
IUPAC Name
Traditional
1
2.1.0
LexiChem
openeye.com
2011.12.21
N-amyl-2-(2-keto-3-phenyl-quinoxalin-1-yl)-2-(4-pyridyl)acetamide
InChI
Standard
1
1.0.4
InChI
nist.gov
2011.12.21
InChI=1S/C26H26N4O2/c1-2-3-9-16-28-25(31)24(20-14-17-27-18-15-20)30-22-13-8-7-12-21(22)29-23(26(30)32)19-10-5-4-6-11-19/h4-8,10-15,17-18,24H,2-3,9,16H2,1H3,(H,28,31)
InChIKey
Standard
1
1.0.4
InChI
nist.gov
2011.12.21
SYPOGEMLAHWMPZ-UHFFFAOYSA-N
Log P
XLogP3-AA
7
3.0
sioc-ccbg.ac.cn
2011.12.21
4.3
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.12.21
426.205576
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2011.12.21
C26H26N4O2
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.12.21
426.51024
SMILES
Canonical
1
1.7.6
OEChem
openeye.com
2011.12.21
CCCCCNC(=O)C(C1=CC=NC=C1)N2C3=CC=CC=C3N=C(C2=O)C4=CC=CC=C4
SMILES
Isomeric
1
1.7.6
OEChem
openeye.com
2011.12.21
CCCCCNC(=O)C(C1=CC=NC=C1)N2C3=CC=CC=C3N=C(C2=O)C4=CC=CC=C4
Topological
Polar Surface Area
7
E_TPSA
3.384
Cactvs
xemistry.com
2011.12.21
74.7
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.12.21
426.205576
32
1
0
1
0
0
0
0
1
2