6-bromo-2-chloro-8-methoxyquinazoline

C9H6BrClN2O — CID 46738296

IUPAC6-bromo-2-chloro-8-methoxyquinazoline
SMILESCOc1cc(Br)cc2cnc(Cl)nc12
InChIInChI=1S/C9H6BrClN2O/c1-14-7-3-6(10)2-5-4-12-9(11)13-8(5)7/h2-4H,1H3
InChIKeyAJDRLOKFLWCFAY-UHFFFAOYSA-N
MW273.52 g/mol
LogP3.05
Rot. Bonds1

About 6-bromo-2-chloro-8-methoxyquinazoline

6-bromo-2-chloro-8-methoxyquinazoline (PubChem CID 46738296) has the molecular formula C9H6BrClN2O and a molecular weight of 273.52 g/mol. Its IUPAC name is 6-bromo-2-chloro-8-methoxyquinazoline.

Molecular Properties

Compound Name6-bromo-2-chloro-8-methoxyquinazoline
PubChem CID46738296
Molecular FormulaC9H6BrClN2O
Molecular Weight273.52 g/mol
Exact Mass271.94
IUPAC Name6-bromo-2-chloro-8-methoxyquinazoline
SMILESCOc1cc(Br)cc2cnc(Cl)nc12
InChIInChI=1S/C9H6BrClN2O/c1-14-7-3-6(10)2-5-4-12-9(11)13-8(5)7/h2-4H,1H3
InChIKeyAJDRLOKFLWCFAY-UHFFFAOYSA-N
XLogP3.05
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.52
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-chloro-8-methoxyquinazoline?
The IUPAC name of 6-bromo-2-chloro-8-methoxyquinazoline (CID 46738296) is 6-bromo-2-chloro-8-methoxyquinazoline.
What is the SMILES notation for 6-bromo-2-chloro-8-methoxyquinazoline?
The canonical SMILES for 6-bromo-2-chloro-8-methoxyquinazoline is COc1cc(Br)cc2cnc(Cl)nc12.
What is the InChIKey of 6-bromo-2-chloro-8-methoxyquinazoline?
The InChIKey is AJDRLOKFLWCFAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrClN2O/c1-14-7-3-6(10)2-5-4-12-9(11)13-8(5)7/h2-4H,1H3.
What are the key properties of 6-bromo-2-chloro-8-methoxyquinazoline?
6-bromo-2-chloro-8-methoxyquinazoline has a molecular weight of 273.52 g/mol, XLogP of 3.05, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-chloro-8-methoxyquinazoline is sourced from PubChem (CID 46738296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).