Ethyl 6-chloro-2-oxo-1,2-dihydroquinoline-4-carboxylate
Basic information
- CAS
199179-57-2- Standard SMILES
CCOC(=O)c1cc(=O)[nH]c2ccc(Cl)cc12- InChIKey
OVRRFKMDYPFRBX-UHFFFAOYSA-N- Molecular formula
- C12H10ClNO3
- Average molar mass
- 251.66 g/mol
- Monoisotopic mass
- 251.0349209
Names & identifiers
- Preferred name
- Ethyl 6-chloro-2-oxo-1,2-dihydroquinoline-4-carboxylate
- IUPAC
- ethyl 6-chloro-2-oxo-1H-quinoline-4-carboxylate
- English name
- Ethyl 6-chloro-2-hydroxy-4-quinolinecarboxylate
- Molecular formula
- C12H10ClNO3
- Molecular weight
- 251.67
Names & synonyms
Ethyl 6-chloro-2-oxo-1,2-dihydroquinoline-4-carboxylate199179-57-2AC1N369MEthyl6-chloro-2-oxo-1,2-dihydroquinoline-4-carboxylateDTXSID80399121AKOS024324437SB71116DB-360541ETHYL 6-CHLORO-2-HYDROXY-4-QUINOLINECARBOXYLATEethyl 6-chloro-2-hydroxyquinoline-4-carboxylate4-Quinolinecarboxylic acid, 6-chloro-1,2-dihydro-2-oxo-, ethyl ester
Database identifiers
- CAS
199179-57-2- PubChem CID
- 4082492
- DTXSID
DTXSID80399121
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 55.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 367
Physicochemical properties
- Melting point
- 236.5 °C · 236.5 °C
- Boiling point
- 450.5 · 450.5±45.0 °C(Predicted)
- Density
- 1.351 · 1.351±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 9.82 · 9.82±0.70(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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