Ethyl 4-hydroxy-5,8-dimethoxyquinoline-3-carboxylate
Basic information
- CAS
5428-19-3- Standard SMILES
CCOC(=O)c1c[nH]c2c(OC)ccc(OC)c2c1=O- InChIKey
ZFOVQQHLWOBEKQ-UHFFFAOYSA-N- Molecular formula
- C14H15NO5
- Average molar mass
- 277.27 g/mol
- Monoisotopic mass
- 277.09502258
Names & identifiers
- Preferred name
- Ethyl 4-hydroxy-5,8-dimethoxyquinoline-3-carboxylate
- IUPAC
- ethyl 5,8-dimethoxy-4-oxo-1H-quinoline-3-carboxylate
- English name
- 4-Hydroxy-5,8-dimethoxy-quinoline-3-carboxylic acid ethyl ester
- Molecular formula
- C14H15NO5
- Molecular weight
- 277.27
Names & synonyms
ethyl 4-hydroxy-5,8-dimethoxyquinoline-3-carboxylate5428-19-3DTXSID30279484RefChem:344007DTXCID50230638ethyl 5,8-dimethoxy-4-oxo-1,4-dihydroquinoline-3-carboxylateNSC12816SCHEMBL9829849SCHEMBL11250968ZFOVQQHLWOBEKQ-UHFFFAOYSA-NNSC-12816STL152708
Show more names
4-Hydroxy-5,8-dimethoxy-quinoline-3-carboxylic acid ethyl ester3-Quinolinecarboxylic acid, 4-hydroxy-5,8-dimethoxy-, ethyl ester
STL247171AKOS002337475AKOS025283942ST51065899ethyl 1,4-dihydro-5,8-dimethoxy-4-oxo-3-quinolinecarboxylate
Database identifiers
- CAS
5428-19-3- PubChem CID
- 224415
- DTXSID
DTXSID30279484
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 73.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 420
Physicochemical properties
- Melting point
- 190 · 190-194 °C
- Boiling point
- 414.7 · 414.7±40.0 °C(Predicted)
- Density
- 1.274 · 1.274±0.06 g/cm3(Predicted)
- pka
- 2.48 · 2.48±0.50(Predicted)
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Related reactions
2 records
Compound notes
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