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Home Nitriles 2-Quinoxalinecarbonitrile,3-amino-, 1,4-dioxide

2-Quinoxalinecarbonitrile,3-amino-, 1,4-dioxide

CAS No.:
23190-84-3
Catalog Number:
AG006YDO
Molecular Formula:
C9H6N4O2
Molecular Weight:
202.1695
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Product Description
Catalog Number:
AG006YDO
Chemical Name:
2-Quinoxalinecarbonitrile,3-amino-, 1,4-dioxide
CAS Number:
23190-84-3
Molecular Formula:
C9H6N4O2
Molecular Weight:
202.1695
MDL Number:
MFCD00102307
IUPAC Name:
3-amino-1,4-dioxidoquinoxaline-1,4-diium-2-carbonitrile
InChI:
InChI=1S/C9H6N4O2/c10-5-8-9(11)13(15)7-4-2-1-3-6(7)12(8)14/h1-4H,11H2
InChI Key:
ZGVCESZATUMTIM-UHFFFAOYSA-N
SMILES:
N#Cc1[n+]([O-])c2ccccc2[n+](c1N)[O-]
Properties
Complexity:
289  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.049g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
202.173g/mol
Monoisotopic Mass:
202.049g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5  
Literature
Title Journal
Design of novel iron compounds as potential therapeutic agents against tuberculosis. Journal of inorganic biochemistry 20101101
New quinoxaline 1, 4-di-N-oxides: anticancer and hypoxia-selective therapeutic agents. European journal of medicinal chemistry 20100701
Cytotoxic palladium complexes of bioreductive quinoxaline N1,N4-dioxide prodrugs. Bioorganic & medicinal chemistry 20090215
New copper-based complexes with quinoxaline N1,N4-dioxide derivatives, potential antitumoral agents. Journal of inorganic biochemistry 20080101
Improving anti-trypanosomal activity of 3-aminoquinoxaline-2-carbonitrile N1,N4-dioxide derivatives by complexation with vanadium. Bioorganic & medicinal chemistry 20060815
Selective hypoxia-cytotoxins based on vanadyl complexes with 3-aminoquinoxaline-2-carbonitrile-N1,N4-dioxide derivatives. Journal of inorganic biochemistry 20060801
Novel vanadyl complexes with quinoxaline N(1),N(4)-dioxide derivatives as potent in vitro insulin-mimetic compounds. Journal of inorganic biochemistry 20060201
Properties