2-(4-Fluorophenyl)-6,8-dimethylquinoline-4-carboxylic acid

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Basic information

CAS: 18060-35-0
Standard SMILES: Cc1cc(C)c2nc(-c3ccc(F)cc3)cc(C(=O)O)c2c1
InChIKey: RFGXIZMWHQHBNA-UHFFFAOYSA-N
Molecular formula: C18H14FNO2
Average molar mass: 295.3 g/mol
Monoisotopic mass: 295.10085685

Names & identifiers

Preferred name: 2-(4-Fluorophenyl)-6,8-dimethylquinoline-4-carboxylic acid
IUPAC: 2-(4-fluorophenyl)-6,8-dimethylquinoline-4-carboxylic acid

Names & synonyms

18060-35-0NSC 1413432-(4-fluorophenyl)-6,8-dimethylquinoline-4-carboxylic acidNSC141343DTXSID30301138RFGXIZMWHQHBNA-UHFFFAOYSA-NNSC-1413436,8-Dimethyl-2-[p-fluorophenyl]cinchoninic acid2-(4-Fluorophenyl)-6,8-dimethyl-4-quinolinecarboxylic acid #

Database identifiers

CAS: 18060-35-0
PubChem CID: 284945
DTXSID: DTXSID30301138

Properties

Computed structural properties

XLogP: 4.2
Topological polar surface area: 50.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 2
Heavy atoms: 22
Formal charge: 0
Complexity: 408

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