4(3H)-Quinazolinone, 3-(3-chloro-o-tolyl)-2-fluoromethyl-

HCID 64066

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Basic information

CAS: 49700-31-4
Standard SMILES: Cc1c(Cl)cccc1-n1c(CF)nc2ccccc2c1=O
InChIKey: WVXKNJCOURJHDJ-UHFFFAOYSA-N
Molecular formula: C16H12ClFN2O
Average molar mass: 302.73 g/mol
Monoisotopic mass: 302.0622189

Names & identifiers

Preferred name: 4(3H)-Quinazolinone, 3-(3-chloro-o-tolyl)-2-fluoromethyl-
IUPAC: 3-(3-chloro-2-methylphenyl)-2-(fluoromethyl)quinazolin-4-one
English name: 3-(3-Chloro-2-methylphenyl)-2-(fluoromethyl)quinazolin-4(3H)-one
Molecular formula: C16H12ClFN2O
Molecular weight: 302.73

Names & synonyms

49700-31-44(3H)-Quinazolinone, 3-(3-chloro-o-tolyl)-2-fluoromethyl-3-(3-Chloro-o-tolyl)-2-fluoromethyl-4(3H)-quinazolinoneDTXSID90197973RefChem:284044DTXCID501204643-(3-Chloro-2-methylphenyl)-2-(fluoromethyl)quinazolin-4(3H)-oneCHEMBL32462604(3H)-Quinazolinone, 3-(3-chloro-2-methylphenyl)-2-(fluoromethyl)-

Database identifiers

CAS: 49700-31-4
PubChem CID: 64066
DTXSID: DTXSID90197973
ChEMBL: CHEMBL3246260
Nikkaji: J73.068H

Properties

Computed structural properties

XLogP: 3.5
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: 442

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