1-Isopropyl-4-(p-fluorophenyl)-6,7-methylenedioxy-2(1H)-quinazolinone

HCID 36337

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Basic information

CAS: 33100-30-0
Standard SMILES: CC(C)n1c(=O)nc(-c2ccc(F)cc2)c2cc3c(cc21)OCO3
InChIKey: HJICZLOIHNWNNY-UHFFFAOYSA-N
Molecular formula: C18H15FN2O3
Average molar mass: 326.3 g/mol
Monoisotopic mass: 326.10667051

Names & identifiers

Preferred name: 1-Isopropyl-4-(p-fluorophenyl)-6,7-methylenedioxy-2(1H)-quinazolinone
IUPAC: 8-(4-fluorophenyl)-5-propan-2-yl-[1,3]dioxolo[4,5-g]quinazolin-6-one

Names & synonyms

BRN 0571260UNII-65TP3SJ5YA65TP3SJ5YA1,3-DIOXOLO(4,5-g)QUINAZOLIN-6(5H)-ONE, 8-(4-FLUOROPHENYL)-5-(1-METHYLETHYL)-1-Isopropyl-4-(p-fluorophenyl)-6,7-methylenedioxy-2(1H)-quinazolinoneDTXSID401867718-(4-Fluorophenyl)-5-isopropyl-1,3-dioxolo(4,5-g)quinazolin-6(5H)-one1,3-DIOXOLO(4,5-G)QUINAZOLIN-6(5H)-ONE, 8-(P-FLUOROPHENYL)-5-ISOPROPYL-RefChem:197050DTXCID8010926233100-30-0SaH-46-798

Show more names

CHEMBL13525SCHEMBL11087025Q272639148-(4-Fluorophenyl)-5-(propan-2-yl)-2H-[1,3]dioxolo[4,5-g]quinazolin-6(5H)-one

Database identifiers

CAS: 33100-30-0
PubChem CID: 36337
DTXSID: DTXSID40186771
ChEMBL: CHEMBL13525
UNII: 65TP3SJ5YA

Properties

Computed structural properties

XLogP: 3.6
Topological polar surface area: 51.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 2
Heavy atoms: 24
Formal charge: 0
Complexity: 530

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