chempirical

Olaquindox

C12H13N3O4CAS 23696-28-8263.25 g/mol

Open in Covalent MOL file
OHNHON+ONO−
AlcoholAlkeneTertiary amine

Properties

Molecular formula
C12H13N3O4
Molar mass
263.25 g/mol
Exact mass
263.0906 Da
Melting point
209 °C
logP
0.51Crippen estimate
Polar surface area
103.8 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
3

Identifiers

CAS number
23696-28-8
SMILES
Cc1c(C(O)=NCCO)[n+](=O)c2ccccc2n1[O-]
InChIKey
TURHTASYUMWZCC-UHFFFAOYSA-N
InChI
InChI=1S/C12H13N3O4/c1-8-11(12(17)13-6-7-16)15(19)10-5-3-2-4-9(10)14(8)18/h2-5,16H,6-7H2,1H3,(H,13,17)

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Type any one amount. The others follow from the molar mass.

Names and synonyms

7 names
  • 2-Quinoxalinecarboxamide, N-(2-hydroxyethyl)-3-methyl-, 1,4-dioxide
  • BayoNox
  • Bayernox
  • Bisergon
  • 2-[N-(2-Hydroxyethyl)carboxamide]-3-methylquinoxaline 1,4-dioxide
  • NSC 634933
  • 2-((2-Hydroxyethyl)carbamoyl)-3-methylquinoxaline1,4-dioxide

Work with Olaquindox

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Mequindox13297-17-159 % similar Quinocetone81810-66-451 % similar N-(2-Nitrophenyl)acetamide552-32-931 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook