41272348
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3.732
3.732
5.4641
4.5981
5.4641
5.4641
5.4641
5.4641
6.4641
4.5981
6.9641
6.3301
3.732
3.732
4.5981
2.866
2.866
6.3301
6.3301
4.5981
2
2
7.2241
7.2241
8.1301
8.1301
4.8441
5.6762
6.0747
5.252
4.8535
7.0467
6.3564
6.4272
6.6401
6.8671
6.0201
7.2741
7.501
5.135
2.866
2.866
1.4631
1.4631
5.4641
7.2169
7.2169
8.6659
8.6659
1.56
-3.44
2.56
0.06
-3.44
-1.44
1.56
3.56
2.56
1.06
1.694
4.06
-0.44
-1.44
-1.94
0.06
-1.94
-2.94
-1.94
-2.94
-0.44
-1.44
-3.4747
-1.4053
-2.9608
-1.9192
2.56
0.9774
1.6677
4.1426
3.4523
2.772
3.1706
1.384
3.5231
4.37
4.5969
1.157
2.004
-0.25
0.68
-2.56
-0.13
-1.75
-4.06
-4.0946
-0.7854
-3.2729
-1.6071
8
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1
Compound
Canonicalized
5
2011.04.04
1
Compound Complexity
7
E_COMPLEXITY
3.384
Cactvs
xemistry.com
2011.04.04
544
Count
Hydrogen Bond Acceptor
5
E_NHACCEPTORS
3.384
Cactvs
xemistry.com
2011.04.04
3
Count
Hydrogen Bond Donor
5
E_NHDONORS
3.384
Cactvs
xemistry.com
2011.04.04
3
Count
Rotatable Bond
5
E_NROTBONDS
3.384
Cactvs
xemistry.com
2011.04.04
6
Fingerprint
SubStructure Keys
16
extended 2
E_SCREEN
3.384
Cactvs
xemistry.com
2011.04.04
00000371E07BB000000000000000000000000000000000000000306080000000000000814000001E00100000000C08C1980432C083C00000A80325725400820000210200088881A874980860B2C095B1942008609400C8C8071C88808E00000000000200200000000000040040000000000000
IUPAC Name
Allowed
1
2.0.2
LexiChem
openeye.com
2011.04.04
diethyl-[2-oxo-2-[2-(3-oxo-4H-quinoxalin-2-yl)anilino]ethyl]ammonium
IUPAC Name
CAS-like Style
1
2.0.2
LexiChem
openeye.com
2011.04.04
diethyl-[2-oxo-2-[2-(3-oxo-4H-quinoxalin-2-yl)anilino]ethyl]ammonium
IUPAC Name
Preferred
1
2.0.2
LexiChem
openeye.com
2011.04.04
diethyl-[2-oxo-2-[2-(3-oxo-4H-quinoxalin-2-yl)anilino]ethyl]azanium
IUPAC Name
Systematic
1
2.0.2
LexiChem
openeye.com
2011.04.04
diethyl-[2-oxidanylidene-2-[[2-(3-oxidanylidene-4H-quinoxalin-2-yl)phenyl]amino]ethyl]azanium
IUPAC Name
Traditional
1
2.0.2
LexiChem
openeye.com
2011.04.04
diethyl-[2-keto-2-[2-(3-keto-4H-quinoxalin-2-yl)anilino]ethyl]ammonium
InChI
Standard
1
1.0.3
InChI
nist.gov
2011.04.04
InChI=1S/C20H22N4O2/c1-3-24(4-2)13-18(25)21-15-10-6-5-9-14(15)19-20(26)23-17-12-8-7-11-16(17)22-19/h5-12H,3-4,13H2,1-2H3,(H,21,25)(H,23,26)/p+1
InChIKey
Standard
1
1.0.3
InChI
nist.gov
2011.04.04
ZVCKRNZWLYWBAB-UHFFFAOYSA-O
Log P
XLogP3-AA
7
3.0
sioc-ccbg.ac.cn
2011.04.04
2.3
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.04.04
351.182101
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2011.04.04
C20H23N4O2+
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.04.04
351.42222
SMILES
Canonical
1
1.7.4
OEChem
openeye.com
2011.04.04
CC[NH+](CC)CC(=O)NC1=CC=CC=C1C2=NC3=CC=CC=C3NC2=O
SMILES
Isomeric
1
1.7.4
OEChem
openeye.com
2011.04.04
CC[NH+](CC)CC(=O)NC1=CC=CC=C1C2=NC3=CC=CC=C3NC2=O
Topological
Polar Surface Area
7
E_TPSA
3.384
Cactvs
xemistry.com
2011.04.04
75
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.04.04
351.182101
26
0
0
0
0
0
0
0
1
61