4(3H)-Quinazolinone, 3-(4-chlorophenyl)-2-ethyl-6-fluoro-

HCID 63246

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Basic information

CAS: 49579-31-9
Standard SMILES: CCc1nc2ccc(F)cc2c(=O)n1-c1ccc(Cl)cc1
InChIKey: HKLNIKHEYDEMRD-UHFFFAOYSA-N
Molecular formula: C16H12ClFN2O
Average molar mass: 302.73 g/mol
Monoisotopic mass: 302.0622189

Names & identifiers

Preferred name: 4(3H)-Quinazolinone, 3-(4-chlorophenyl)-2-ethyl-6-fluoro-
IUPAC: 3-(4-chlorophenyl)-2-ethyl-6-fluoroquinazolin-4-one

Names & synonyms

4(3H)-Quinazolinone, 3-(4-chlorophenyl)-2-ethyl-6-fluoro-49579-31-9BRN 08140953-(4-Chlorophenyl)-2-ethyl-6-fluoro-4(3H)-quinazolinoneDTXSID001978883-(4-Chlorophenyl)-2-ethyl-6-fluoroquinazolin-4(3H)-one

Database identifiers

CAS: 49579-31-9
PubChem CID: 63246
DTXSID: DTXSID00197888

Properties

Computed structural properties

XLogP: 3.6
Topological polar surface area: 32.7 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 21
Formal charge: 0
Complexity: 434

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