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

C18H14F2N2O2 — CID 170694690

IUPAC8-acetyl-2-(2,6-difluorophenyl)-3,6-dimethylquinazolin-4-one
SMILESCC(=O)c1cc(C)cc2c(=O)n(C)c(-c3c(F)cccc3F)nc12
InChIInChI=1S/C18H14F2N2O2/c1-9-7-11(10(2)23)16-12(8-9)18(24)22(3)17(21-16)15-13(19)5-4-6-14(15)20/h4-8H,1-3H3
InChIKeyJUSMUHYJNUUZLS-UHFFFAOYSA-N
MW328.32 g/mol
LogP3.39
Rot. Bonds2

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

8-acetyl-2-(2,6-difluorophenyl)-3,6-dimethylquinazolin-4-one (PubChem CID 170694690) has the molecular formula C18H14F2N2O2 and a molecular weight of 328.32 g/mol. Its IUPAC name is 8-acetyl-2-(2,6-difluorophenyl)-3,6-dimethylquinazolin-4-one.

Molecular Properties

Compound Name8-acetyl-2-(2,6-difluorophenyl)-3,6-dimethylquinazolin-4-one
PubChem CID170694690
Molecular FormulaC18H14F2N2O2
Molecular Weight328.32 g/mol
Exact Mass328.10
IUPAC Name8-acetyl-2-(2,6-difluorophenyl)-3,6-dimethylquinazolin-4-one
SMILESCC(=O)c1cc(C)cc2c(=O)n(C)c(-c3c(F)cccc3F)nc12
InChIInChI=1S/C18H14F2N2O2/c1-9-7-11(10(2)23)16-12(8-9)18(24)22(3)17(21-16)15-13(19)5-4-6-14(15)20/h4-8H,1-3H3
InChIKeyJUSMUHYJNUUZLS-UHFFFAOYSA-N
XLogP3.39
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.32
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-acetyl-2-(2,6-difluorophenyl)-3,6-dimethylquinazolin-4-one?
The IUPAC name of 8-acetyl-2-(2,6-difluorophenyl)-3,6-dimethylquinazolin-4-one (CID 170694690) is 8-acetyl-2-(2,6-difluorophenyl)-3,6-dimethylquinazolin-4-one.
What is the SMILES notation for 8-acetyl-2-(2,6-difluorophenyl)-3,6-dimethylquinazolin-4-one?
The canonical SMILES for 8-acetyl-2-(2,6-difluorophenyl)-3,6-dimethylquinazolin-4-one is CC(=O)c1cc(C)cc2c(=O)n(C)c(-c3c(F)cccc3F)nc12.
What is the InChIKey of 8-acetyl-2-(2,6-difluorophenyl)-3,6-dimethylquinazolin-4-one?
The InChIKey is JUSMUHYJNUUZLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F2N2O2/c1-9-7-11(10(2)23)16-12(8-9)18(24)22(3)17(21-16)15-13(19)5-4-6-14(15)20/h4-8H,1-3H3.
What are the key properties of 8-acetyl-2-(2,6-difluorophenyl)-3,6-dimethylquinazolin-4-one?
8-acetyl-2-(2,6-difluorophenyl)-3,6-dimethylquinazolin-4-one has a molecular weight of 328.32 g/mol, XLogP of 3.39, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-acetyl-2-(2,6-difluorophenyl)-3,6-dimethylquinazolin-4-one is sourced from PubChem (CID 170694690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).