8-acetyl-2-(3-fluorophenyl)-3,6-dimethylquinazolin-4-one

C18H15FN2O2 — CID 169155190

IUPAC8-acetyl-2-(3-fluorophenyl)-3,6-dimethylquinazolin-4-one
SMILESCC(=O)c1cc(C)cc2c(=O)n(C)c(-c3cccc(F)c3)nc12
InChIInChI=1S/C18H15FN2O2/c1-10-7-14(11(2)22)16-15(8-10)18(23)21(3)17(20-16)12-5-4-6-13(19)9-12/h4-9H,1-3H3
InChIKeyZLMXAKCJVIRZJJ-UHFFFAOYSA-N
MW310.33 g/mol
LogP3.25
Rot. Bonds2

About 8-acetyl-2-(3-fluorophenyl)-3,6-dimethylquinazolin-4-one

8-acetyl-2-(3-fluorophenyl)-3,6-dimethylquinazolin-4-one (PubChem CID 169155190) has the molecular formula C18H15FN2O2 and a molecular weight of 310.33 g/mol. Its IUPAC name is 8-acetyl-2-(3-fluorophenyl)-3,6-dimethylquinazolin-4-one.

Molecular Properties

Compound Name8-acetyl-2-(3-fluorophenyl)-3,6-dimethylquinazolin-4-one
PubChem CID169155190
Molecular FormulaC18H15FN2O2
Molecular Weight310.33 g/mol
Exact Mass310.11
IUPAC Name8-acetyl-2-(3-fluorophenyl)-3,6-dimethylquinazolin-4-one
SMILESCC(=O)c1cc(C)cc2c(=O)n(C)c(-c3cccc(F)c3)nc12
InChIInChI=1S/C18H15FN2O2/c1-10-7-14(11(2)22)16-15(8-10)18(23)21(3)17(20-16)12-5-4-6-13(19)9-12/h4-9H,1-3H3
InChIKeyZLMXAKCJVIRZJJ-UHFFFAOYSA-N
XLogP3.25
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.33
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-acetyl-2-(3-fluorophenyl)-3,6-dimethylquinazolin-4-one?
The IUPAC name of 8-acetyl-2-(3-fluorophenyl)-3,6-dimethylquinazolin-4-one (CID 169155190) is 8-acetyl-2-(3-fluorophenyl)-3,6-dimethylquinazolin-4-one.
What is the SMILES notation for 8-acetyl-2-(3-fluorophenyl)-3,6-dimethylquinazolin-4-one?
The canonical SMILES for 8-acetyl-2-(3-fluorophenyl)-3,6-dimethylquinazolin-4-one is CC(=O)c1cc(C)cc2c(=O)n(C)c(-c3cccc(F)c3)nc12.
What is the InChIKey of 8-acetyl-2-(3-fluorophenyl)-3,6-dimethylquinazolin-4-one?
The InChIKey is ZLMXAKCJVIRZJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O2/c1-10-7-14(11(2)22)16-15(8-10)18(23)21(3)17(20-16)12-5-4-6-13(19)9-12/h4-9H,1-3H3.
What are the key properties of 8-acetyl-2-(3-fluorophenyl)-3,6-dimethylquinazolin-4-one?
8-acetyl-2-(3-fluorophenyl)-3,6-dimethylquinazolin-4-one has a molecular weight of 310.33 g/mol, XLogP of 3.25, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-acetyl-2-(3-fluorophenyl)-3,6-dimethylquinazolin-4-one is sourced from PubChem (CID 169155190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).