20967491
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3.732
12.4544
8.9904
3.732
5.4641
5.4641
9.8622
4.5981
6.3301
6.3301
4.5981
8.1301
3.732
7.2241
4.5981
7.2241
8.1301
10.7263
3.732
8.9942
11.5942
2.866
2.866
12.4583
2
11.5981
2
13.3263
12.466
13.3301
4.5981
5.4641
13.3185
7.2169
5.4641
7.2169
8.6659
10.3259
11.123
9.8646
2.866
2.866
1.4631
11.0623
5.135
1.4631
13.862
12.4684
13.8682
5.7741
6.001
5.1541
13.0065
13.8543
13.6306
-1.7296
-2.7671
-2.7537
3.2704
-1.7296
0.2704
-1.2571
1.7704
-1.2296
-0.2296
-0.2296
-1.2504
0.2704
-1.7642
-1.2296
0.3051
-0.2088
-1.7604
1.2704
-1.7537
-1.2638
-0.2296
1.7704
-1.7671
0.2704
-0.2638
1.2704
-1.2704
0.2329
-0.2704
2.7704
3.2704
-3.2704
-2.3842
-2.3496
0.925
0.1033
-2.2338
-2.2369
-0.6371
-0.8496
2.3904
-0.0396
0.0483
1.4604
1.5804
-1.5825
0.8529
0.0375
2.7335
3.5804
3.8074
-3.8062
-3.5825
-2.7347
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0
Compound
Canonicalized
5
2011.04.04
1
Compound Complexity
7
E_COMPLEXITY
3.384
Cactvs
xemistry.com
2011.09.13
770
Count
Hydrogen Bond Acceptor
5
E_NHACCEPTORS
3.384
Cactvs
xemistry.com
2011.09.13
5
Count
Hydrogen Bond Donor
5
E_NHDONORS
3.384
Cactvs
xemistry.com
2011.09.13
3
Count
Rotatable Bond
5
E_NROTBONDS
3.384
Cactvs
xemistry.com
2011.09.13
6
Fingerprint
SubStructure Keys
16
extended 2
E_SCREEN
3.384
Cactvs
xemistry.com
2011.09.13
00000371E07BB8000000000000000000000000000000000000003060C1000000000000815000001E00100000000C0CC1980632C682C00400A803257254008208002522000888812E7CD80C66B2C4B59B94312866D611C8E9879CC9A09E08000040000A00201000008000140040000000000000
IUPAC Name
Allowed
1
2.0.2
LexiChem
openeye.com
2011.09.13
2-(2-acetamidophenyl)-N-[(2-methoxyphenyl)methyl]-3-oxo-4H-quinoxaline-6-carboxamide
IUPAC Name
CAS-like Style
1
2.0.2
LexiChem
openeye.com
2011.09.13
2-(2-acetamidophenyl)-N-[(2-methoxyphenyl)methyl]-3-oxo-4H-quinoxaline-6-carboxamide
IUPAC Name
Preferred
1
2.0.2
LexiChem
openeye.com
2011.09.13
2-(2-acetamidophenyl)-N-[(2-methoxyphenyl)methyl]-3-oxo-4H-quinoxaline-6-carboxamide
IUPAC Name
Systematic
1
2.0.2
LexiChem
openeye.com
2011.09.13
2-(2-acetamidophenyl)-N-[(2-methoxyphenyl)methyl]-3-oxidanylidene-4H-quinoxaline-6-carboxamide
IUPAC Name
Traditional
1
2.0.2
LexiChem
openeye.com
2011.09.13
2-(2-acetamidophenyl)-3-keto-N-o-anisyl-4H-quinoxaline-6-carboxamide
InChI
Standard
1
1.0.3
InChI
nist.gov
2011.09.13
InChI=1S/C25H22N4O4/c1-15(30)27-19-9-5-4-8-18(19)23-25(32)29-21-13-16(11-12-20(21)28-23)24(31)26-14-17-7-3-6-10-22(17)33-2/h3-13H,14H2,1-2H3,(H,26,31)(H,27,30)(H,29,32)
InChIKey
Standard
1
1.0.3
InChI
nist.gov
2011.09.13
KPACAJAZVHBIPL-UHFFFAOYSA-N
Log P
XLogP3-AA
7
3.0
sioc-ccbg.ac.cn
2011.09.13
2.3
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
442.164105
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
C25H22N4O4
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
442.46658
SMILES
Canonical
1
1.7.4
OEChem
openeye.com
2011.09.13
CC(=O)NC1=CC=CC=C1C2=NC3=C(C=C(C=C3)C(=O)NCC4=CC=CC=C4OC)NC2=O
SMILES
Isomeric
1
1.7.4
OEChem
openeye.com
2011.09.13
CC(=O)NC1=CC=CC=C1C2=NC3=C(C=C(C=C3)C(=O)NCC4=CC=CC=C4OC)NC2=O
Topological
Polar Surface Area
7
E_TPSA
3.384
Cactvs
xemistry.com
2011.09.13
109
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
442.164105
33
0
0
0
0
0
0
0
1
66