570374
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255
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2.866
5.4641
5.4641
7.1962
7.1962
6.3301
5.4641
6.3301
5.4641
8.0622
8.0622
4.5981
6.3301
4.5981
3.732
3.732
8.9561
8.9561
6.3301
9.8622
9.8622
7.1962
7.1962
8.0622
8.0622
8.9282
2
8.9282
4.5981
4.5981
7.1962
6.8671
3.1951
8.949
8.949
10.3979
10.3979
6.6592
8.0622
8.0622
9.4651
9.4651
2.31
1.4631
1.69
-1.44
-2.94
2.06
-2.94
-0.94
0.56
-0.94
-1.44
0.06
-2.44
-1.44
-1.44
-2.44
0.56
-0.94
0.06
-2.9747
-0.9053
1.56
-2.4608
-1.4192
2.06
3.06
1.56
3.56
2.06
-0.94
3.06
-2.06
1.18
-3.56
0.25
0.37
-3.5946
-0.2854
-2.7729
-1.1071
3.37
0.94
4.18
1.75
3.37
-0.4031
-0.63
-1.4769
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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
614
Count
Hydrogen Bond Acceptor
5
E_NHACCEPTORS
3.384
Cactvs
xemistry.com
2011.04.04
4
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
4
Fingerprint
SubStructure Keys
16
extended 2
E_SCREEN
3.384
Cactvs
xemistry.com
2011.04.04
00000371E07B30000000000000000000000000000000000000003060C1000000000000815000001E00100000000C0C81980232C682C00400A80325725400820800252200088801267CD80C66B2C4B59B94312864D411C8E987BCDCB2CE00400100000200200080020000040040000000000000
IUPAC Name
Allowed
1
2.0.2
LexiChem
openeye.com
2011.04.04
N-[4-methoxy-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]benzamide
IUPAC Name
CAS-like Style
1
2.0.2
LexiChem
openeye.com
2011.04.04
N-[4-methoxy-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]benzamide
IUPAC Name
Preferred
1
2.0.2
LexiChem
openeye.com
2011.04.04
N-[4-methoxy-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]benzamide
IUPAC Name
Systematic
1
2.0.2
LexiChem
openeye.com
2011.04.04
N-[4-methoxy-2-(3-oxidanylidene-4H-quinoxalin-2-yl)phenyl]benzamide
IUPAC Name
Traditional
1
2.0.2
LexiChem
openeye.com
2011.04.04
N-[2-(3-keto-4H-quinoxalin-2-yl)-4-methoxy-phenyl]benzamide
InChI
Standard
1
1.0.3
InChI
nist.gov
2011.04.04
InChI=1S/C22H17N3O3/c1-28-15-11-12-17(24-21(26)14-7-3-2-4-8-14)16(13-15)20-22(27)25-19-10-6-5-9-18(19)23-20/h2-13H,1H3,(H,24,26)(H,25,27)
InChIKey
Standard
1
1.0.3
InChI
nist.gov
2011.04.04
YRFBLNOFJLRBHO-UHFFFAOYSA-N
Log P
XLogP3-AA
7
3.0
sioc-ccbg.ac.cn
2011.04.04
3.2
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.04.04
371.126991
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2011.04.04
C22H17N3O3
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.04.04
371.38868
SMILES
Canonical
1
1.7.4
OEChem
openeye.com
2011.04.04
COC1=CC(=C(C=C1)NC(=O)C2=CC=CC=C2)C3=NC4=CC=CC=C4NC3=O
SMILES
Isomeric
1
1.7.4
OEChem
openeye.com
2011.04.04
COC1=CC(=C(C=C1)NC(=O)C2=CC=CC=C2)C3=NC4=CC=CC=C4NC3=O
Topological
Polar Surface Area
7
E_TPSA
3.384
Cactvs
xemistry.com
2011.04.04
79.8
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.04.04
371.126991
28
0
0
0
0
0
0
0
1
10