7-[2-(4-fluorophenyl)ethoxy]-4-oxo-1H-quinoline-3-carboxylic acid

HCID 328533

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Basic information

CAS: 78105-12-1
Standard SMILES: O=C(O)c1c[nH]c2cc(OCCc3ccc(F)cc3)ccc2c1=O
InChIKey: SQNZVTAPUCSFRX-UHFFFAOYSA-N
Molecular formula: C18H14FNO4
Average molar mass: 327.3 g/mol
Monoisotopic mass: 327.09068609

Names & identifiers

Preferred name: 7-[2-(4-fluorophenyl)ethoxy]-4-oxo-1H-quinoline-3-carboxylic acid
IUPAC: 7-[2-(4-fluorophenyl)ethoxy]-4-oxo-1H-quinoline-3-carboxylic acid

Names & synonyms

CHEMBL16016778105-12-17-[2-(4-fluorophenyl)ethoxy]-4-oxo-1H-quinoline-3-carboxylic acidNSC307167DTXSID90316824BDBM50404723NSC-307167DS-0059707-[2-(4-Fluorophenyl)ethoxy]-4-oxo-1,4-dihydroquinoline-3-carboxylic acid

Database identifiers

CAS: 78105-12-1
PubChem CID: 328533
DTXSID: DTXSID90316824
ChEMBL: CHEMBL160167

Properties

Computed structural properties

XLogP: 3.9
Topological polar surface area: 75.6 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 6
Rotatable bonds: 5
Heavy atoms: 24
Formal charge: 0
Complexity: 513

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