2-chloro-6,8-difluoro-4-(2-methylpropoxy)quinazoline

C12H11ClF2N2O — CID 168906557

IUPAC2-chloro-6,8-difluoro-4-(2-methylpropoxy)quinazoline
SMILESCC(C)COc1nc(Cl)nc2c(F)cc(F)cc12
InChIInChI=1S/C12H11ClF2N2O/c1-6(2)5-18-11-8-3-7(14)4-9(15)10(8)16-12(13)17-11/h3-4,6H,5H2,1-2H3
InChIKeyAZAOYYJYPIVOFO-UHFFFAOYSA-N
MW272.68 g/mol
LogP3.60
Rot. Bonds3

About 2-chloro-6,8-difluoro-4-(2-methylpropoxy)quinazoline

2-chloro-6,8-difluoro-4-(2-methylpropoxy)quinazoline (PubChem CID 168906557) has the molecular formula C12H11ClF2N2O and a molecular weight of 272.68 g/mol. Its IUPAC name is 2-chloro-6,8-difluoro-4-(2-methylpropoxy)quinazoline.

Molecular Properties

Compound Name2-chloro-6,8-difluoro-4-(2-methylpropoxy)quinazoline
PubChem CID168906557
Molecular FormulaC12H11ClF2N2O
Molecular Weight272.68 g/mol
Exact Mass272.05
IUPAC Name2-chloro-6,8-difluoro-4-(2-methylpropoxy)quinazoline
SMILESCC(C)COc1nc(Cl)nc2c(F)cc(F)cc12
InChIInChI=1S/C12H11ClF2N2O/c1-6(2)5-18-11-8-3-7(14)4-9(15)10(8)16-12(13)17-11/h3-4,6H,5H2,1-2H3
InChIKeyAZAOYYJYPIVOFO-UHFFFAOYSA-N
XLogP3.60
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 ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6,8-difluoro-4-(2-methylpropoxy)quinazoline?
The IUPAC name of 2-chloro-6,8-difluoro-4-(2-methylpropoxy)quinazoline (CID 168906557) is 2-chloro-6,8-difluoro-4-(2-methylpropoxy)quinazoline.
What is the SMILES notation for 2-chloro-6,8-difluoro-4-(2-methylpropoxy)quinazoline?
The canonical SMILES for 2-chloro-6,8-difluoro-4-(2-methylpropoxy)quinazoline is CC(C)COc1nc(Cl)nc2c(F)cc(F)cc12.
What is the InChIKey of 2-chloro-6,8-difluoro-4-(2-methylpropoxy)quinazoline?
The InChIKey is AZAOYYJYPIVOFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClF2N2O/c1-6(2)5-18-11-8-3-7(14)4-9(15)10(8)16-12(13)17-11/h3-4,6H,5H2,1-2H3.
What are the key properties of 2-chloro-6,8-difluoro-4-(2-methylpropoxy)quinazoline?
2-chloro-6,8-difluoro-4-(2-methylpropoxy)quinazoline has a molecular weight of 272.68 g/mol, XLogP of 3.60, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6,8-difluoro-4-(2-methylpropoxy)quinazoline is sourced from PubChem (CID 168906557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).