4-oxo-7-(2-phenoxyethoxy)-1H-quinoline-3-carboxylic acid

HCID 328535

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Basic information

CAS: 19924-65-3
Standard SMILES: O=C(O)c1c[nH]c2cc(OCCOc3ccccc3)ccc2c1=O
InChIKey: KVEZHVPJOSNHIW-UHFFFAOYSA-N
Molecular formula: C18H15NO5
Average molar mass: 325.3 g/mol
Monoisotopic mass: 325.09502258

Names & identifiers

Preferred name: 4-oxo-7-(2-phenoxyethoxy)-1H-quinoline-3-carboxylic acid
IUPAC: 4-oxo-7-(2-phenoxyethoxy)-1H-quinoline-3-carboxylic acid

Names & synonyms

4-oxo-7-(2-phenoxyethoxy)-1H-quinoline-3-carboxylic acidCHEMBL15758019924-65-3NSC307169SCHEMBL17338603DTXSID10316826BDBM50404719NSC-307169DS-0153604-Oxo-7-(2-phenoxyethoxy)-1,4-dihydroquinoline-3-carboxylic acid

Database identifiers

CAS: 19924-65-3
PubChem CID: 328535
DTXSID: DTXSID10316826
ChEMBL: CHEMBL157580

Properties

Computed structural properties

XLogP: 3.5
Topological polar surface area: 84.9 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 6
Rotatable bonds: 6
Heavy atoms: 24
Formal charge: 0
Complexity: 498

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