Methyl 6-(benzyloxy)-4-oxo-1,4-dihydroquinoline-2-carboxylate
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Basic information
- CAS
929028-73-9- Standard SMILES
COC(=O)c1cc(=O)c2cc(OCc3ccccc3)ccc2[nH]1- InChIKey
ISEUSWBMFAUWGC-UHFFFAOYSA-N- Molecular formula
- C18H15NO4
- Average molar mass
- 309.3 g/mol
- Monoisotopic mass
- 309.10010796
Names & identifiers
- Preferred name
- Methyl 6-(benzyloxy)-4-oxo-1,4-dihydroquinoline-2-carboxylate
- IUPAC
- methyl 4-oxo-6-phenylmethoxy-1H-quinoline-2-carboxylate
- English name
- 6-Benzyloxy-4-oxo-1,4-dihydro-quinoline-2-carboxylic acid Methyl ester
- Molecular formula
- C18H15NO4
- Molecular weight
- 309.32
Names & synonyms
929028-73-9Methyl 6-(benzyloxy)-4-oxo-1,4-dihydroquinoline-2-carboxylate6-Benzyloxy-4-hydroxy-quinoline-2-carboxylic acid methyl ester1373835-19-86-Benzyloxy-4-oxo-1,4-dihydro-quinoline-2-carboxylic acid methyl estermethyl 4-oxo-6-phenylmethoxy-1H-quinoline-2-carboxylateSCHEMBL2911168DTXSID00621557SB72415G103306-Benzyloxy-4-hydroxy-quinoline-2-carboxylicacidmethylester2-Quinolinecarboxylic acid, 1,4-dihydro-4-oxo-6-(phenylmethoxy)-, methyl ester
Database identifiers
- CAS
929028-73-9- PubChem CID
- 22017434
- DTXSID
DTXSID00621557
Properties
Computed structural propertiesFilling in
- XLogP
- 3.1
- Topological polar surface area
- 64.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 481
Physicochemical properties
- Boiling point
- 484.3 · 484.3±45.0 °C(Predicted)
- Density
- 1.276 · 1.276±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 0.89 · 0.89±0.70(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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