Ethyl 1-ethyl-6-fluoro-1,4-dihydro-4-oxo-7-phenyl-3-quinolinecarboxylate

HCID 13732829

Notes Reactions

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Basic information

CAS: 103977-91-9
Standard SMILES: CCOC(=O)c1cn(CC)c2cc(-c3ccccc3)c(F)cc2c1=O
InChIKey: WFLZCGPBUMZWSY-UHFFFAOYSA-N
Molecular formula: C20H18FNO3
Average molar mass: 339.4 g/mol
Monoisotopic mass: 339.1270716

Names & identifiers

Preferred name: Ethyl 1-ethyl-6-fluoro-1,4-dihydro-4-oxo-7-phenyl-3-quinolinecarboxylate
IUPAC: ethyl 1-ethyl-6-fluoro-4-oxo-7-phenylquinoline-3-carboxylate

Names & synonyms

SCHEMBL10517657DTXSID901149711Ethyl 1-ethyl-6-fluoro-1,4-dihydro-4-oxo-7-phenyl-3-quinolinecarboxylate103977-91-9Ethyl 1-ethyl-6-fluoro-4-oxo-7-phenyl-1,4-dihydroquinoline-3-carboxylate

Database identifiers

CAS: 103977-91-9
PubChem CID: 13732829
DTXSID: DTXSID901149711

Properties

Computed structural properties

XLogP: 1.9
Topological polar surface area: 46.6 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 5
Rotatable bonds: 5
Heavy atoms: 25
Formal charge: 0
Complexity: 541

Related reactions

2 records

New reaction record

HRID 812520As reactantTest data from https://doi.org/10.1039/C8SC04228D

HRID 2141446As reactantTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

Compound notes

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