4-chloro-7-(1,1-difluoro-2-methylpropoxy)quinazoline

C12H11ClF2N2O — CID 178126648

IUPAC4-chloro-7-(1,1-difluoro-2-methylpropoxy)quinazoline
SMILESCC(C)C(F)(F)Oc1ccc2c(Cl)ncnc2c1
InChIInChI=1S/C12H11ClF2N2O/c1-7(2)12(14,15)18-8-3-4-9-10(5-8)16-6-17-11(9)13/h3-7H,1-2H3
InChIKeyFUBAWAFKZUURNL-UHFFFAOYSA-N
MW272.68 g/mol
LogP3.91
Rot. Bonds3

About 4-chloro-7-(1,1-difluoro-2-methylpropoxy)quinazoline

4-chloro-7-(1,1-difluoro-2-methylpropoxy)quinazoline (PubChem CID 178126648) has the molecular formula C12H11ClF2N2O and a molecular weight of 272.68 g/mol. Its IUPAC name is 4-chloro-7-(1,1-difluoro-2-methylpropoxy)quinazoline.

Molecular Properties

Compound Name4-chloro-7-(1,1-difluoro-2-methylpropoxy)quinazoline
PubChem CID178126648
Molecular FormulaC12H11ClF2N2O
Molecular Weight272.68 g/mol
Exact Mass272.05
IUPAC Name4-chloro-7-(1,1-difluoro-2-methylpropoxy)quinazoline
SMILESCC(C)C(F)(F)Oc1ccc2c(Cl)ncnc2c1
InChIInChI=1S/C12H11ClF2N2O/c1-7(2)12(14,15)18-8-3-4-9-10(5-8)16-6-17-11(9)13/h3-7H,1-2H3
InChIKeyFUBAWAFKZUURNL-UHFFFAOYSA-N
XLogP3.91
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.68
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-chloro-7-(1,1-difluoro-2-methylpropoxy)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 4-chloro-7-(1,1-difluoro-2-methylpropoxy)quinazoline?
The IUPAC name of 4-chloro-7-(1,1-difluoro-2-methylpropoxy)quinazoline (CID 178126648) is 4-chloro-7-(1,1-difluoro-2-methylpropoxy)quinazoline.
What is the SMILES notation for 4-chloro-7-(1,1-difluoro-2-methylpropoxy)quinazoline?
The canonical SMILES for 4-chloro-7-(1,1-difluoro-2-methylpropoxy)quinazoline is CC(C)C(F)(F)Oc1ccc2c(Cl)ncnc2c1.
What is the InChIKey of 4-chloro-7-(1,1-difluoro-2-methylpropoxy)quinazoline?
The InChIKey is FUBAWAFKZUURNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClF2N2O/c1-7(2)12(14,15)18-8-3-4-9-10(5-8)16-6-17-11(9)13/h3-7H,1-2H3.
What are the key properties of 4-chloro-7-(1,1-difluoro-2-methylpropoxy)quinazoline?
4-chloro-7-(1,1-difluoro-2-methylpropoxy)quinazoline has a molecular weight of 272.68 g/mol, XLogP of 3.91, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-7-(1,1-difluoro-2-methylpropoxy)quinazoline is sourced from PubChem (CID 178126648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).