8-acetyl-2-(4,4-difluoropiperidin-1-yl)-6-fluoro-3-methylquinazolin-4-one

C16H16F3N3O2 — CID 169155246

IUPAC8-acetyl-2-(4,4-difluoropiperidin-1-yl)-6-fluoro-3-methylquinazolin-4-one
SMILESCC(=O)c1cc(F)cc2c(=O)n(C)c(N3CCC(F)(F)CC3)nc12
InChIInChI=1S/C16H16F3N3O2/c1-9(23)11-7-10(17)8-12-13(11)20-15(21(2)14(12)24)22-5-3-16(18,19)4-6-22/h7-8H,3-6H2,1-2H3
InChIKeyZFCHCJNWTPPBIA-UHFFFAOYSA-N
MW339.32 g/mol
LogP2.51
Rot. Bonds2

About 8-acetyl-2-(4,4-difluoropiperidin-1-yl)-6-fluoro-3-methylquinazolin-4-one

8-acetyl-2-(4,4-difluoropiperidin-1-yl)-6-fluoro-3-methylquinazolin-4-one (PubChem CID 169155246) has the molecular formula C16H16F3N3O2 and a molecular weight of 339.32 g/mol. Its IUPAC name is 8-acetyl-2-(4,4-difluoropiperidin-1-yl)-6-fluoro-3-methylquinazolin-4-one.

Molecular Properties

Compound Name8-acetyl-2-(4,4-difluoropiperidin-1-yl)-6-fluoro-3-methylquinazolin-4-one
PubChem CID169155246
Molecular FormulaC16H16F3N3O2
Molecular Weight339.32 g/mol
Exact Mass339.12
IUPAC Name8-acetyl-2-(4,4-difluoropiperidin-1-yl)-6-fluoro-3-methylquinazolin-4-one
SMILESCC(=O)c1cc(F)cc2c(=O)n(C)c(N3CCC(F)(F)CC3)nc12
InChIInChI=1S/C16H16F3N3O2/c1-9(23)11-7-10(17)8-12-13(11)20-15(21(2)14(12)24)22-5-3-16(18,19)4-6-22/h7-8H,3-6H2,1-2H3
InChIKeyZFCHCJNWTPPBIA-UHFFFAOYSA-N
XLogP2.51
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.32
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 8-acetyl-2-(4,4-difluoropiperidin-1-yl)-6-fluoro-3-methylquinazolin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-acetyl-2-(4,4-difluoropiperidin-1-yl)-6-fluoro-3-methylquinazolin-4-one?
The IUPAC name of 8-acetyl-2-(4,4-difluoropiperidin-1-yl)-6-fluoro-3-methylquinazolin-4-one (CID 169155246) is 8-acetyl-2-(4,4-difluoropiperidin-1-yl)-6-fluoro-3-methylquinazolin-4-one.
What is the SMILES notation for 8-acetyl-2-(4,4-difluoropiperidin-1-yl)-6-fluoro-3-methylquinazolin-4-one?
The canonical SMILES for 8-acetyl-2-(4,4-difluoropiperidin-1-yl)-6-fluoro-3-methylquinazolin-4-one is CC(=O)c1cc(F)cc2c(=O)n(C)c(N3CCC(F)(F)CC3)nc12.
What is the InChIKey of 8-acetyl-2-(4,4-difluoropiperidin-1-yl)-6-fluoro-3-methylquinazolin-4-one?
The InChIKey is ZFCHCJNWTPPBIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N3O2/c1-9(23)11-7-10(17)8-12-13(11)20-15(21(2)14(12)24)22-5-3-16(18,19)4-6-22/h7-8H,3-6H2,1-2H3.
What are the key properties of 8-acetyl-2-(4,4-difluoropiperidin-1-yl)-6-fluoro-3-methylquinazolin-4-one?
8-acetyl-2-(4,4-difluoropiperidin-1-yl)-6-fluoro-3-methylquinazolin-4-one has a molecular weight of 339.32 g/mol, XLogP of 2.51, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-acetyl-2-(4,4-difluoropiperidin-1-yl)-6-fluoro-3-methylquinazolin-4-one is sourced from PubChem (CID 169155246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).