3-(4-Fluorophenyl)-1-hydroxy-4-oxidoquinoxalin-4-ium-2-one
Basic information
- CAS
371209-86-8- Standard SMILES
O=c1c(-c2ccc(F)cc2)[n+]([O-])c2ccccc2n1O- InChIKey
XMGQMCTURZXRLC-UHFFFAOYSA-N- Molecular formula
- C14H9FN2O3
- Average molar mass
- 272.23 g/mol
- Monoisotopic mass
- 272.05972032
Names & identifiers
- Preferred name
- 3-(4-Fluorophenyl)-1-hydroxy-4-oxidoquinoxalin-4-ium-2-one
- IUPAC
- 3-(4-fluorophenyl)-1-hydroxy-4-oxidoquinoxalin-4-ium-2-one
Names & synonyms
371209-86-83-(4-fluorophenyl)-1-hydroxy-4-oxidoquinoxalin-4-ium-2-oneMLS001164270CHEMBL1507402DTXSID201326893HMS2878I14STK841111AKOS005625253SMR0005396923-(4-fluorophenyl)-1-hydroxyquinoxalin-2(1H)-one 4-oxide2-(4-fluorophenyl)-4-hydroxy-3-oxo-3,4-dihydroquinoxaline 1-oxide3-(4-Fluorophenyl)-1-hydroxy-4-oxo-4lambda~5~-quinoxalin-2(1H)-one
Database identifiers
- CAS
371209-86-8- PubChem CID
- 947085
- DTXSID
DTXSID201326893- ChEMBL
CHEMBL1507402
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 69.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 432
Experimental & physicochemical properties
Solubility40.5 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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