6-Bromo-3-ethoxycarbonyl-2-methyl-4-quinolone

HCID 11616547

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Basic information

CAS: 88960-40-1
Standard SMILES: CCOC(=O)c1c(C)[nH]c2ccc(Br)cc2c1=O
InChIKey: OWQFPNVJMALXNK-UHFFFAOYSA-N
Molecular formula: C13H12BrNO3
Average molar mass: 310.14 g/mol
Monoisotopic mass: 309.00006

Names & identifiers

Preferred name: 6-Bromo-3-ethoxycarbonyl-2-methyl-4-quinolone
IUPAC: ethyl 6-bromo-2-methyl-4-oxo-1H-quinoline-3-carboxylate

Names & synonyms

88960-40-16-bromo-3-ethoxycarbonyl-2-methyl-4-quinoloneRefChem:307493ETHYL 6-BROMO-4-HYDROXY-2-METHYLQUINOLINE-3-CARBOXYLATEEthyl 6-bromo-2-methyl-4-oxo-1H-quinoline-3-carboxylateCHEMBL206762DTXSID10469528PD182858Ethyl 6-bromo-2-methyl-4-oxo-1,4-dihydroquinoline-3-carboxylate

Database identifiers

CAS: 88960-40-1
PubChem CID: 11616547
DTXSID: DTXSID10469528
ChEMBL: CHEMBL206762

Properties

Computed structural properties

XLogP: 3.1
Topological polar surface area: 55.4 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 3
Heavy atoms: 18
Formal charge: 0
Complexity: 405

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