8-bromo-6-chloro-2-methyl-3H-quinazolin-4-one

C9H6BrClN2O — CID 136799212

IUPAC8-bromo-6-chloro-2-methyl-3H-quinazolin-4-one
SMILESCc1nc2c(Br)cc(Cl)cc2c(=O)[nH]1
InChIInChI=1S/C9H6BrClN2O/c1-4-12-8-6(9(14)13-4)2-5(11)3-7(8)10/h2-3H,1H3,(H,12,13,14)
InChIKeyDBXCXOPLRZJBSW-UHFFFAOYSA-N
MW273.52 g/mol
LogP2.65
Rot. Bonds

About 8-bromo-6-chloro-2-methyl-3H-quinazolin-4-one

8-bromo-6-chloro-2-methyl-3H-quinazolin-4-one (PubChem CID 136799212) has the molecular formula C9H6BrClN2O and a molecular weight of 273.52 g/mol. Its IUPAC name is 8-bromo-6-chloro-2-methyl-3H-quinazolin-4-one.

Molecular Properties

Compound Name8-bromo-6-chloro-2-methyl-3H-quinazolin-4-one
PubChem CID136799212
Molecular FormulaC9H6BrClN2O
Molecular Weight273.52 g/mol
Exact Mass271.94
IUPAC Name8-bromo-6-chloro-2-methyl-3H-quinazolin-4-one
SMILESCc1nc2c(Br)cc(Cl)cc2c(=O)[nH]1
InChIInChI=1S/C9H6BrClN2O/c1-4-12-8-6(9(14)13-4)2-5(11)3-7(8)10/h2-3H,1H3,(H,12,13,14)
InChIKeyDBXCXOPLRZJBSW-UHFFFAOYSA-N
XLogP2.65
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.52
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 8-bromo-6-chloro-2-methyl-3H-quinazolin-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 8-bromo-6-chloro-2-methyl-3H-quinazolin-4-one?
The IUPAC name of 8-bromo-6-chloro-2-methyl-3H-quinazolin-4-one (CID 136799212) is 8-bromo-6-chloro-2-methyl-3H-quinazolin-4-one.
What is the SMILES notation for 8-bromo-6-chloro-2-methyl-3H-quinazolin-4-one?
The canonical SMILES for 8-bromo-6-chloro-2-methyl-3H-quinazolin-4-one is Cc1nc2c(Br)cc(Cl)cc2c(=O)[nH]1.
What is the InChIKey of 8-bromo-6-chloro-2-methyl-3H-quinazolin-4-one?
The InChIKey is DBXCXOPLRZJBSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrClN2O/c1-4-12-8-6(9(14)13-4)2-5(11)3-7(8)10/h2-3H,1H3,(H,12,13,14).
What are the key properties of 8-bromo-6-chloro-2-methyl-3H-quinazolin-4-one?
8-bromo-6-chloro-2-methyl-3H-quinazolin-4-one has a molecular weight of 273.52 g/mol, XLogP of 2.65, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-6-chloro-2-methyl-3H-quinazolin-4-one is sourced from PubChem (CID 136799212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).