8-acetyl-2-(1-fluorocyclobutyl)-3,6-dimethylquinazolin-4-one

C16H17FN2O2 — CID 169155194

IUPAC8-acetyl-2-(1-fluorocyclobutyl)-3,6-dimethylquinazolin-4-one
SMILESCC(=O)c1cc(C)cc2c(=O)n(C)c(C3(F)CCC3)nc12
InChIInChI=1S/C16H17FN2O2/c1-9-7-11(10(2)20)13-12(8-9)14(21)19(3)15(18-13)16(17)5-4-6-16/h7-8H,4-6H2,1-3H3
InChIKeyJNTFCIZVGAZPFQ-UHFFFAOYSA-N
MW288.32 g/mol
LogP2.79
Rot. Bonds2

About 8-acetyl-2-(1-fluorocyclobutyl)-3,6-dimethylquinazolin-4-one

8-acetyl-2-(1-fluorocyclobutyl)-3,6-dimethylquinazolin-4-one (PubChem CID 169155194) has the molecular formula C16H17FN2O2 and a molecular weight of 288.32 g/mol. Its IUPAC name is 8-acetyl-2-(1-fluorocyclobutyl)-3,6-dimethylquinazolin-4-one.

Molecular Properties

Compound Name8-acetyl-2-(1-fluorocyclobutyl)-3,6-dimethylquinazolin-4-one
PubChem CID169155194
Molecular FormulaC16H17FN2O2
Molecular Weight288.32 g/mol
Exact Mass288.13
IUPAC Name8-acetyl-2-(1-fluorocyclobutyl)-3,6-dimethylquinazolin-4-one
SMILESCC(=O)c1cc(C)cc2c(=O)n(C)c(C3(F)CCC3)nc12
InChIInChI=1S/C16H17FN2O2/c1-9-7-11(10(2)20)13-12(8-9)14(21)19(3)15(18-13)16(17)5-4-6-16/h7-8H,4-6H2,1-3H3
InChIKeyJNTFCIZVGAZPFQ-UHFFFAOYSA-N
XLogP2.79
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-acetyl-2-(1-fluorocyclobutyl)-3,6-dimethylquinazolin-4-one?
The IUPAC name of 8-acetyl-2-(1-fluorocyclobutyl)-3,6-dimethylquinazolin-4-one (CID 169155194) is 8-acetyl-2-(1-fluorocyclobutyl)-3,6-dimethylquinazolin-4-one.
What is the SMILES notation for 8-acetyl-2-(1-fluorocyclobutyl)-3,6-dimethylquinazolin-4-one?
The canonical SMILES for 8-acetyl-2-(1-fluorocyclobutyl)-3,6-dimethylquinazolin-4-one is CC(=O)c1cc(C)cc2c(=O)n(C)c(C3(F)CCC3)nc12.
What is the InChIKey of 8-acetyl-2-(1-fluorocyclobutyl)-3,6-dimethylquinazolin-4-one?
The InChIKey is JNTFCIZVGAZPFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O2/c1-9-7-11(10(2)20)13-12(8-9)14(21)19(3)15(18-13)16(17)5-4-6-16/h7-8H,4-6H2,1-3H3.
What are the key properties of 8-acetyl-2-(1-fluorocyclobutyl)-3,6-dimethylquinazolin-4-one?
8-acetyl-2-(1-fluorocyclobutyl)-3,6-dimethylquinazolin-4-one has a molecular weight of 288.32 g/mol, XLogP of 2.79, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-acetyl-2-(1-fluorocyclobutyl)-3,6-dimethylquinazolin-4-one is sourced from PubChem (CID 169155194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).