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

C18H22FN3O2 — CID 169099547

IUPAC8-acetyl-2-(4,4-dimethylpiperidin-1-yl)-6-fluoro-3-methylquinazolin-4-one
SMILESCC(=O)c1cc(F)cc2c(=O)n(C)c(N3CCC(C)(C)CC3)nc12
InChIInChI=1S/C18H22FN3O2/c1-11(23)13-9-12(19)10-14-15(13)20-17(21(4)16(14)24)22-7-5-18(2,3)6-8-22/h9-10H,5-8H2,1-4H3
InChIKeyZAVXAXPISLSHPU-UHFFFAOYSA-N
MW331.39 g/mol
LogP2.90
Rot. Bonds2

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

8-acetyl-2-(4,4-dimethylpiperidin-1-yl)-6-fluoro-3-methylquinazolin-4-one (PubChem CID 169099547) has the molecular formula C18H22FN3O2 and a molecular weight of 331.39 g/mol. Its IUPAC name is 8-acetyl-2-(4,4-dimethylpiperidin-1-yl)-6-fluoro-3-methylquinazolin-4-one.

Molecular Properties

Compound Name8-acetyl-2-(4,4-dimethylpiperidin-1-yl)-6-fluoro-3-methylquinazolin-4-one
PubChem CID169099547
Molecular FormulaC18H22FN3O2
Molecular Weight331.39 g/mol
Exact Mass331.17
IUPAC Name8-acetyl-2-(4,4-dimethylpiperidin-1-yl)-6-fluoro-3-methylquinazolin-4-one
SMILESCC(=O)c1cc(F)cc2c(=O)n(C)c(N3CCC(C)(C)CC3)nc12
InChIInChI=1S/C18H22FN3O2/c1-11(23)13-9-12(19)10-14-15(13)20-17(21(4)16(14)24)22-7-5-18(2,3)6-8-22/h9-10H,5-8H2,1-4H3
InChIKeyZAVXAXPISLSHPU-UHFFFAOYSA-N
XLogP2.90
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.39
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-acetyl-2-(4,4-dimethylpiperidin-1-yl)-6-fluoro-3-methylquinazolin-4-one?
The IUPAC name of 8-acetyl-2-(4,4-dimethylpiperidin-1-yl)-6-fluoro-3-methylquinazolin-4-one (CID 169099547) is 8-acetyl-2-(4,4-dimethylpiperidin-1-yl)-6-fluoro-3-methylquinazolin-4-one.
What is the SMILES notation for 8-acetyl-2-(4,4-dimethylpiperidin-1-yl)-6-fluoro-3-methylquinazolin-4-one?
The canonical SMILES for 8-acetyl-2-(4,4-dimethylpiperidin-1-yl)-6-fluoro-3-methylquinazolin-4-one is CC(=O)c1cc(F)cc2c(=O)n(C)c(N3CCC(C)(C)CC3)nc12.
What is the InChIKey of 8-acetyl-2-(4,4-dimethylpiperidin-1-yl)-6-fluoro-3-methylquinazolin-4-one?
The InChIKey is ZAVXAXPISLSHPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O2/c1-11(23)13-9-12(19)10-14-15(13)20-17(21(4)16(14)24)22-7-5-18(2,3)6-8-22/h9-10H,5-8H2,1-4H3.
What are the key properties of 8-acetyl-2-(4,4-dimethylpiperidin-1-yl)-6-fluoro-3-methylquinazolin-4-one?
8-acetyl-2-(4,4-dimethylpiperidin-1-yl)-6-fluoro-3-methylquinazolin-4-one has a molecular weight of 331.39 g/mol, XLogP of 2.90, 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-dimethylpiperidin-1-yl)-6-fluoro-3-methylquinazolin-4-one is sourced from PubChem (CID 169099547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).