53347938
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255
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3.732
3.732
5.4641
5.4641
4.5981
7.1962
3.732
4.5981
3.732
6.3301
6.3301
4.5981
2.866
2.866
7.2241
7.2241
2
2
8.1301
8.1301
4.5981
5.4641
5.4641
6.3301
6.3301
7.1962
5.4641
2.866
2.866
5.135
7.2169
7.2169
1.4631
1.4631
8.6659
8.6659
4.9272
6.3301
6.3301
7.7331
-2.94
2.06
-2.94
-0.94
0.56
3.06
-0.94
-1.44
0.06
-2.44
-1.44
-2.44
-1.44
0.56
-2.9747
-0.9053
-0.94
0.06
-2.4608
-1.4192
1.56
2.06
3.06
1.56
3.56
2.06
-3.56
-2.06
1.18
0.25
-3.5946
-0.2854
-1.25
0.37
-2.7729
-1.1071
3.37
0.94
4.18
1.75
8
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0
Compound
Canonicalized
5
2011.09.13
1
Compound Complexity
7
E_COMPLEXITY
3.408
Cactvs
xemistry.com
2012.11.26
570
Count
Hydrogen Bond Acceptor
5
E_NHACCEPTORS
3.408
Cactvs
xemistry.com
2012.11.26
4
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
00000371C07BB0000000000000000000000000000000000000003C608100000000000081D000001E00100000000C08C19A043CC092C81000A8033577540082802035022008D8213874D80860F2C09591942108609400C8C9871C88808E00000000000200200000000000040040000000000000
IUPAC Name
Allowed
1
2.2.0
LexiChem
openeye.com
2012.11.26
N-[2-(3-oxo-4H-quinoxalin-2-yl)phenyl]pyridine-4-carboxamide
IUPAC Name
CAS-like Style
1
2.2.0
LexiChem
openeye.com
2012.11.26
N-[2-(3-oxo-4H-quinoxalin-2-yl)phenyl]-4-pyridinecarboxamide
IUPAC Name
Preferred
1
2.2.0
LexiChem
openeye.com
2012.11.26
N-[2-(3-oxo-4H-quinoxalin-2-yl)phenyl]pyridine-4-carboxamide
IUPAC Name
Systematic
1
2.2.0
LexiChem
openeye.com
2012.11.26
N-[2-(3-oxidanylidene-4H-quinoxalin-2-yl)phenyl]pyridine-4-carboxamide
IUPAC Name
Traditional
1
2.2.0
LexiChem
openeye.com
2012.11.26
N-[2-(3-keto-4H-quinoxalin-2-yl)phenyl]isonicotinamide
InChI
Standard
1
1.0.4
InChI
iupac.org
2012.11.26
InChI=1S/C20H14N4O2/c25-19(13-9-11-21-12-10-13)23-15-6-2-1-5-14(15)18-20(26)24-17-8-4-3-7-16(17)22-18/h1-12H,(H,23,25)(H,24,26)
InChIKey
Standard
1
1.0.4
InChI
iupac.org
2012.11.26
CAZHCUYLLLMLOI-UHFFFAOYSA-N
Log P
XLogP3-AA
7
3.0
sioc-ccbg.ac.cn
2012.11.26
2.1
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.11.26
342.111676
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2012.11.26
C20H14N4O2
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.11.26
342.35076
SMILES
Canonical
1
1.9.0
OEChem
openeye.com
2012.11.26
C1=CC=C(C(=C1)C2=NC3=CC=CC=C3NC2=O)NC(=O)C4=CC=NC=C4
SMILES
Isomeric
1
1.9.0
OEChem
openeye.com
2012.11.26
C1=CC=C(C(=C1)C2=NC3=CC=CC=C3NC2=O)NC(=O)C4=CC=NC=C4
Topological
Polar Surface Area
7
E_TPSA
3.408
Cactvs
xemistry.com
2012.11.26
83.4
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.11.26
342.111676
26
0
0
0
0
0
0
0
1
10