3-(3-Fluoro-2-methylphenyl)-2-methyl-4(3H)-quinazolinone

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Basic information

CAS: 1897-81-0
Standard SMILES: Cc1c(F)cccc1-n1c(C)nc2ccccc2c1=O
InChIKey: HUEMYHSWRGMTAM-UHFFFAOYSA-N
Molecular formula: C16H13FN2O
Average molar mass: 268.28 g/mol
Monoisotopic mass: 268.1011912

Names & identifiers

Preferred name: 3-(3-Fluoro-2-methylphenyl)-2-methyl-4(3H)-quinazolinone
IUPAC: 3-(3-fluoro-2-methylphenyl)-2-methylquinazolin-4-one

Names & synonyms

4(3H)-Quinazolinone, 3-(3-fluoro-2-methylphenyl)-2-methyl-1897-81-0DTXSID80172390RefChem:1066699DTXCID80948813-(3-Fluoro-2-methylphenyl)-2-methyl-4(3H)-quinazolinoneB 206BRN 08066832-Methyl-3-(3-fluoro-2-methylphenyl)-4(3H)-quinazolinone2-Methyl-3-(3'-fluor-2'-methylphenyl)chinazolinone-(4) [German]2-Methyl-3-(3'-fluor-2'-methylphenyl)chinazolinone-(4)3-(3-Fluoro-2-methylphenyl)-2-methylquinazolin-4(3H)-one

Database identifiers

CAS: 1897-81-0
PubChem CID: 63368
DTXSID: DTXSID80172390
Nikkaji: J73.085H

Properties

Computed structural properties

XLogP: 2.6
Topological polar surface area: 32.7 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 20
Formal charge: 0
Complexity: 423

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Compound notes

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