Basic information
- CAS
374919-16-1- Standard SMILES
CCOC(=O)COn1c(=O)c(-c2ccccc2)[n+]([O-])c2ccccc21- InChIKey
FRBYBEMPGDPUPP-UHFFFAOYSA-N- Molecular formula
- C18H16N2O5
- Average molar mass
- 340.3 g/mol
Names & identifiers
- Preferred name
- ethyl [(4-oxido-2-oxo-3-phenylquinoxalin-1(2H)-yl)oxy]acetate
- IUPAC
- ethyl 2-(4-oxido-2-oxo-3-phenylquinoxalin-4-ium-1-yl)oxyacetate
- English name
- ethyl [(4-oxido-2-oxo-3-phenyl-1(2H)-quinoxalinyl)oxy]acetate
- Molecular formula
- C18H16N2O5
- Molecular weight
- 340.33
Names & synonyms
ethyl [(4-oxido-2-oxo-3-phenylquinoxalin-1(2H)-yl)oxy]acetate4-(2-ethoxy-2-oxoethoxy)-3-oxo-2-phenyl-3,4-dihydroquinoxaline 1-oxideChemDiv1_005930MLS001197208CHEMBL1336038HMS603N12HMS2865F12ethyl 2-(4-oxido-2-oxo-3-phenylquinoxalin-4-ium-1-yl)oxyacetateSTK067189AKOS001629145SMR000555449AJ-292/40413415
Show more names
Acetic acid, 2-[(4-oxido-2-oxo-3-phenyl-1(2H)-quinoxalinyl)oxy]-, ethyl ester
SR-01000453381SR-01000453381-1ethyl [(4-oxido-2-oxo-3-phenyl-1(2H)-quinoxalinyl)oxy]acetate4-(2-ETHOXY-2-OXOETHOXY)-3-OXO-2-PHENYL-3,4-DIHYDROQUINOXALIN-1-IUM-1-OLATE374919-16-1
Database identifiers
- CAS
374919-16-1- ChEMBL
CHEMBL1336038
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 84.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 542
Experimental & physicochemical properties
Solubility35.2 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Boiling point
- 510.9 · 510.9±52.0 °C(Predicted)
- Density
- 1.36 · 1.36±0.1 g/cm3(Predicted)
- pka
- -1.82 · -1.82±0.20(Predicted)
Chemistry & industry
Suppliers2 total
Interbioscreen Ltd.[email protected]
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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