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

C16H13FN2O — CID 2796529

IUPAC3-(4-fluorophenyl)-2,6-dimethylquinazolin-4-one
SMILESCc1ccc2nc(C)n(-c3ccc(F)cc3)c(=O)c2c1
InChIInChI=1S/C16H13FN2O/c1-10-3-8-15-14(9-10)16(20)19(11(2)18-15)13-6-4-12(17)5-7-13/h3-9H,1-2H3
InChIKeyVETCHZKMBRLVRP-UHFFFAOYSA-N
MW268.29 g/mol
LogP3.14
Rot. Bonds1

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

3-(4-fluorophenyl)-2,6-dimethylquinazolin-4-one (PubChem CID 2796529) has the molecular formula C16H13FN2O and a molecular weight of 268.29 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-2,6-dimethylquinazolin-4-one.

Molecular Properties

Compound Name3-(4-fluorophenyl)-2,6-dimethylquinazolin-4-one
PubChem CID2796529
Molecular FormulaC16H13FN2O
Molecular Weight268.29 g/mol
Exact Mass268.10
IUPAC Name3-(4-fluorophenyl)-2,6-dimethylquinazolin-4-one
SMILESCc1ccc2nc(C)n(-c3ccc(F)cc3)c(=O)c2c1
InChIInChI=1S/C16H13FN2O/c1-10-3-8-15-14(9-10)16(20)19(11(2)18-15)13-6-4-12(17)5-7-13/h3-9H,1-2H3
InChIKeyVETCHZKMBRLVRP-UHFFFAOYSA-N
XLogP3.14
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.29
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-2,6-dimethylquinazolin-4-one?
The IUPAC name of 3-(4-fluorophenyl)-2,6-dimethylquinazolin-4-one (CID 2796529) is 3-(4-fluorophenyl)-2,6-dimethylquinazolin-4-one.
What is the SMILES notation for 3-(4-fluorophenyl)-2,6-dimethylquinazolin-4-one?
The canonical SMILES for 3-(4-fluorophenyl)-2,6-dimethylquinazolin-4-one is Cc1ccc2nc(C)n(-c3ccc(F)cc3)c(=O)c2c1.
What is the InChIKey of 3-(4-fluorophenyl)-2,6-dimethylquinazolin-4-one?
The InChIKey is VETCHZKMBRLVRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O/c1-10-3-8-15-14(9-10)16(20)19(11(2)18-15)13-6-4-12(17)5-7-13/h3-9H,1-2H3.
What are the key properties of 3-(4-fluorophenyl)-2,6-dimethylquinazolin-4-one?
3-(4-fluorophenyl)-2,6-dimethylquinazolin-4-one has a molecular weight of 268.29 g/mol, XLogP of 3.14, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-2,6-dimethylquinazolin-4-one is sourced from PubChem (CID 2796529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).