2,3-ditert-butyl-6,7-difluoroquinazolin-4-one

C16H20F2N2O — CID 90250791

IUPAC2,3-ditert-butyl-6,7-difluoroquinazolin-4-one
SMILESCC(C)(C)c1nc2cc(F)c(F)cc2c(=O)n1C(C)(C)C
InChIInChI=1S/C16H20F2N2O/c1-15(2,3)14-19-12-8-11(18)10(17)7-9(12)13(21)20(14)16(4,5)6/h7-8H,1-6H3
InChIKeyRHMDRMMXYAEVLB-UHFFFAOYSA-N
MW294.35 g/mol
LogP3.73
Rot. Bonds

About 2,3-ditert-butyl-6,7-difluoroquinazolin-4-one

2,3-ditert-butyl-6,7-difluoroquinazolin-4-one (PubChem CID 90250791) has the molecular formula C16H20F2N2O and a molecular weight of 294.35 g/mol. Its IUPAC name is 2,3-ditert-butyl-6,7-difluoroquinazolin-4-one.

Molecular Properties

Compound Name2,3-ditert-butyl-6,7-difluoroquinazolin-4-one
PubChem CID90250791
Molecular FormulaC16H20F2N2O
Molecular Weight294.35 g/mol
Exact Mass294.15
IUPAC Name2,3-ditert-butyl-6,7-difluoroquinazolin-4-one
SMILESCC(C)(C)c1nc2cc(F)c(F)cc2c(=O)n1C(C)(C)C
InChIInChI=1S/C16H20F2N2O/c1-15(2,3)14-19-12-8-11(18)10(17)7-9(12)13(21)20(14)16(4,5)6/h7-8H,1-6H3
InChIKeyRHMDRMMXYAEVLB-UHFFFAOYSA-N
XLogP3.73
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2,3-ditert-butyl-6,7-difluoroquinazolin-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 2,3-ditert-butyl-6,7-difluoroquinazolin-4-one?
The IUPAC name of 2,3-ditert-butyl-6,7-difluoroquinazolin-4-one (CID 90250791) is 2,3-ditert-butyl-6,7-difluoroquinazolin-4-one.
What is the SMILES notation for 2,3-ditert-butyl-6,7-difluoroquinazolin-4-one?
The canonical SMILES for 2,3-ditert-butyl-6,7-difluoroquinazolin-4-one is CC(C)(C)c1nc2cc(F)c(F)cc2c(=O)n1C(C)(C)C.
What is the InChIKey of 2,3-ditert-butyl-6,7-difluoroquinazolin-4-one?
The InChIKey is RHMDRMMXYAEVLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F2N2O/c1-15(2,3)14-19-12-8-11(18)10(17)7-9(12)13(21)20(14)16(4,5)6/h7-8H,1-6H3.
What are the key properties of 2,3-ditert-butyl-6,7-difluoroquinazolin-4-one?
2,3-ditert-butyl-6,7-difluoroquinazolin-4-one has a molecular weight of 294.35 g/mol, XLogP of 3.73, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-ditert-butyl-6,7-difluoroquinazolin-4-one is sourced from PubChem (CID 90250791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).