Basic information
- CAS
33095-70-4- Standard SMILES
CC(C)n1c(=O)nc(-c2cccc(F)c2)c2cc3c(cc21)OCO3- InChIKey
XNNKONGIXZLMJM-UHFFFAOYSA-N- Molecular formula
- C18H15FN2O3
- Average molar mass
- 326.3 g/mol
- Monoisotopic mass
- 326.10667051
Names & identifiers
- Preferred name
- 1,3-Dioxolo(4,5-g)quinazolin-6(5H)-one, 8-(3-fluorophenyl)-5-(1-methylethyl)-
- IUPAC
- 8-(3-fluorophenyl)-5-propan-2-yl-[1,3]dioxolo[4,5-g]quinazolin-6-one
Names & synonyms
BRN 08418361,3-DIOXOLO(4,5-g)QUINAZOLIN-6(5H)-ONE, 8-(3-FLUOROPHENYL)-5-(1-METHYLETHYL)-33095-70-4DTXSID001867528-(3-Fluorophenyl)-5-isopropyl-1,3-dioxolo(4,5-g)quinazolin-6(5H)-oneRefChem:219052DTXCID40109243CHEMBL13381SCHEMBL114108508-(3-Fluorophenyl)-5-(propan-2-yl)-2H-[1,3]dioxolo[4,5-g]quinazolin-6(5H)-one
Database identifiers
- CAS
33095-70-4- PubChem CID
- 36330
- DTXSID
DTXSID00186752- ChEMBL
CHEMBL13381
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 51.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 538
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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