53377454
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255
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3.732
6.3301
3.732
5.4641
4.5981
5.4641
3.732
4.5981
3.732
6.3301
6.3301
4.5981
2.866
2.866
7.2241
7.2241
2
5.4641
4.5981
2
8.1301
8.1301
6.3301
5.4641
7.1962
6.3301
7.1962
7.1962
2.866
5.4641
5.135
2.866
7.2169
7.2169
1.4631
1.4631
8.6659
8.6659
4.9272
7.7331
6.3301
7.7331
6.8862
7.7331
7.5062
-2.94
0.56
2.06
-2.94
0.56
-0.94
-0.94
-1.44
0.06
-2.44
-1.44
-2.44
-1.44
0.56
-2.9747
-0.9053
-0.94
2.06
1.56
0.06
-2.4608
-1.4192
1.56
3.06
2.06
3.56
3.06
0.06
-2.06
-3.56
0.25
1.18
-3.5946
-0.2854
-1.25
0.37
-2.7729
-1.1071
3.37
1.75
4.18
3.37
-0.4769
-0.25
0.5969
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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
620
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
4
Fingerprint
SubStructure Keys
16
extended 2
E_SCREEN
3.408
Cactvs
xemistry.com
2012.11.26
00000371E07B30000000000000000000000000000000000000003060C1000000000000815000001E00100000000C0C81980232C682C00400A80325725400820800252200088801267CD80C66B6C4B59B94316866F411C8E9879CC8A08E00000000000A00200000000000140040000000000000
IUPAC Name
Allowed
1
2.2.0
LexiChem
openeye.com
2012.11.26
2-methoxy-N-[2-(3-oxo-4H-quinoxalin-2-yl)phenyl]benzamide
IUPAC Name
CAS-like Style
1
2.2.0
LexiChem
openeye.com
2012.11.26
2-methoxy-N-[2-(3-oxo-4H-quinoxalin-2-yl)phenyl]benzamide
IUPAC Name
Preferred
1
2.2.0
LexiChem
openeye.com
2012.11.26
2-methoxy-N-[2-(3-oxo-4H-quinoxalin-2-yl)phenyl]benzamide
IUPAC Name
Systematic
1
2.2.0
LexiChem
openeye.com
2012.11.26
2-methoxy-N-[2-(3-oxidanylidene-4H-quinoxalin-2-yl)phenyl]benzamide
IUPAC Name
Traditional
1
2.2.0
LexiChem
openeye.com
2012.11.26
N-[2-(3-keto-4H-quinoxalin-2-yl)phenyl]-2-methoxy-benzamide
InChI
Standard
1
1.0.4
InChI
iupac.org
2012.11.26
InChI=1S/C22H17N3O3/c1-28-19-13-7-3-9-15(19)21(26)24-16-10-4-2-8-14(16)20-22(27)25-18-12-6-5-11-17(18)23-20/h2-13H,1H3,(H,24,26)(H,25,27)
InChIKey
Standard
1
1.0.4
InChI
iupac.org
2012.11.26
SPFQCCSURUMZAZ-UHFFFAOYSA-N
Log P
XLogP3-AA
7
3.0
sioc-ccbg.ac.cn
2012.11.26
3.2
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.11.26
371.126991
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2012.11.26
C22H17N3O3
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.11.26
371.38868
SMILES
Canonical
1
1.9.0
OEChem
openeye.com
2012.11.26
COC1=CC=CC=C1C(=O)NC2=CC=CC=C2C3=NC4=CC=CC=C4NC3=O
SMILES
Isomeric
1
1.9.0
OEChem
openeye.com
2012.11.26
COC1=CC=CC=C1C(=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
79.8
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.11.26
371.126991
28
0
0
0
0
0
0
0
1
10