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

HCID 328537

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Basic information

CAS: 78105-15-4
Standard SMILES: O=C(O)c1c[nH]c2cc(OCCOc3ccc(F)cc3)ccc2c1=O
InChIKey: NCJQXDYIMVDHDG-UHFFFAOYSA-N
Molecular formula: C18H14FNO5
Average molar mass: 343.3 g/mol
Monoisotopic mass: 343.08560071

Names & identifiers

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

Names & synonyms

78105-15-4CHEMBL1556727-(2-(4-Fluorophenoxy)ethoxy)-4-hydroxyquinoline-3-carboxylic acid7-[2-(4-fluorophenoxy)ethoxy]-4-oxo-1H-quinoline-3-carboxylic acidNSC307171DTXSID303168283-Quinolinecarboxylicacid, 7-[2-(4-fluorophenoxy)ethoxy]-4-hydroxy-BDBM50404720NSC-307171DS-0144157-[2-(4-Fluorophenoxy)ethoxy]-4-oxo-1,4-dihydroquinoline-3-carboxylic acid

Database identifiers

CAS: 78105-15-4
PubChem CID: 328537
DTXSID: DTXSID30316828
ChEMBL: CHEMBL155672

Properties

Computed structural properties

XLogP: 3.6
Topological polar surface area: 84.9 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 7
Rotatable bonds: 6
Heavy atoms: 25
Formal charge: 0
Complexity: 530

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