6,8-difluoro-2-methyl-4-[(2-methylpropan-2-yl)oxy]quinazoline

C13H14F2N2O — CID 168906691

IUPAC6,8-difluoro-2-methyl-4-[(2-methylpropan-2-yl)oxy]quinazoline
SMILESCc1nc(OC(C)(C)C)c2cc(F)cc(F)c2n1
InChIInChI=1S/C13H14F2N2O/c1-7-16-11-9(5-8(14)6-10(11)15)12(17-7)18-13(2,3)4/h5-6H,1-4H3
InChIKeyPOTIJSBHCOERJU-UHFFFAOYSA-N
MW252.26 g/mol
LogP3.39
Rot. Bonds1

About 6,8-difluoro-2-methyl-4-[(2-methylpropan-2-yl)oxy]quinazoline

6,8-difluoro-2-methyl-4-[(2-methylpropan-2-yl)oxy]quinazoline (PubChem CID 168906691) has the molecular formula C13H14F2N2O and a molecular weight of 252.26 g/mol. Its IUPAC name is 6,8-difluoro-2-methyl-4-[(2-methylpropan-2-yl)oxy]quinazoline.

Molecular Properties

Compound Name6,8-difluoro-2-methyl-4-[(2-methylpropan-2-yl)oxy]quinazoline
PubChem CID168906691
Molecular FormulaC13H14F2N2O
Molecular Weight252.26 g/mol
Exact Mass252.11
IUPAC Name6,8-difluoro-2-methyl-4-[(2-methylpropan-2-yl)oxy]quinazoline
SMILESCc1nc(OC(C)(C)C)c2cc(F)cc(F)c2n1
InChIInChI=1S/C13H14F2N2O/c1-7-16-11-9(5-8(14)6-10(11)15)12(17-7)18-13(2,3)4/h5-6H,1-4H3
InChIKeyPOTIJSBHCOERJU-UHFFFAOYSA-N
XLogP3.39
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.26
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 6,8-difluoro-2-methyl-4-[(2-methylpropan-2-yl)oxy]quinazoline 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 6,8-difluoro-2-methyl-4-[(2-methylpropan-2-yl)oxy]quinazoline?
The IUPAC name of 6,8-difluoro-2-methyl-4-[(2-methylpropan-2-yl)oxy]quinazoline (CID 168906691) is 6,8-difluoro-2-methyl-4-[(2-methylpropan-2-yl)oxy]quinazoline.
What is the SMILES notation for 6,8-difluoro-2-methyl-4-[(2-methylpropan-2-yl)oxy]quinazoline?
The canonical SMILES for 6,8-difluoro-2-methyl-4-[(2-methylpropan-2-yl)oxy]quinazoline is Cc1nc(OC(C)(C)C)c2cc(F)cc(F)c2n1.
What is the InChIKey of 6,8-difluoro-2-methyl-4-[(2-methylpropan-2-yl)oxy]quinazoline?
The InChIKey is POTIJSBHCOERJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2N2O/c1-7-16-11-9(5-8(14)6-10(11)15)12(17-7)18-13(2,3)4/h5-6H,1-4H3.
What are the key properties of 6,8-difluoro-2-methyl-4-[(2-methylpropan-2-yl)oxy]quinazoline?
6,8-difluoro-2-methyl-4-[(2-methylpropan-2-yl)oxy]quinazoline has a molecular weight of 252.26 g/mol, XLogP of 3.39, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-difluoro-2-methyl-4-[(2-methylpropan-2-yl)oxy]quinazoline is sourced from PubChem (CID 168906691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).