6-bromo-5-chloro-6H-quinazolin-4-one

C8H4BrClN2O — CID 76845580

IUPAC6-bromo-5-chloro-6H-quinazolin-4-one
SMILESO=C1N=CN=C2C=CC(Br)C(Cl)=C12
InChIInChI=1S/C8H4BrClN2O/c9-4-1-2-5-6(7(4)10)8(13)12-3-11-5/h1-4H
InChIKeyKWORRVPDJAJGSX-UHFFFAOYSA-N
MW259.49 g/mol
LogP1.82
Rot. Bonds

About 6-bromo-5-chloro-6H-quinazolin-4-one

6-bromo-5-chloro-6H-quinazolin-4-one (PubChem CID 76845580) has the molecular formula C8H4BrClN2O and a molecular weight of 259.49 g/mol. Its IUPAC name is 6-bromo-5-chloro-6H-quinazolin-4-one.

Molecular Properties

Compound Name6-bromo-5-chloro-6H-quinazolin-4-one
PubChem CID76845580
Molecular FormulaC8H4BrClN2O
Molecular Weight259.49 g/mol
Exact Mass257.92
IUPAC Name6-bromo-5-chloro-6H-quinazolin-4-one
SMILESO=C1N=CN=C2C=CC(Br)C(Cl)=C12
InChIInChI=1S/C8H4BrClN2O/c9-4-1-2-5-6(7(4)10)8(13)12-3-11-5/h1-4H
InChIKeyKWORRVPDJAJGSX-UHFFFAOYSA-N
XLogP1.82
TPSA41.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.49
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 6-bromo-5-chloro-6H-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

Related Compounds

6-bromo-5-fluoro-6H-quinazolin-4-one
CID 178189768
7-bromo-6H-quinazolin-4-one
CID 91025472
7-chloro-6H-quinazolin-4-one
CID 91371041
6-bromo-6H-quinazolin-4-one
CID 71303925
6-chloro-6H-quinazolin-4-one
CID 71303944
2-amino-6-bromo-6H-quinazolin-4-one
CID 72739156
6-bromo-2-chloro-6H-quinazolin-4-one
CID 73300429
6-bromo-2-methyl-6H-quinazolin-4-one
CID 76844829
6-bromo-2-(chloromethyl)-6H-quinazolin-4-one
CID 78258819
2-(bromomethyl)-6-chloro-6H-quinazolin-4-one
CID 85682530
8-chloro-6H-quinazolin-4-one
CID 156599126

Frequently Asked Questions

What is the IUPAC name of 6-bromo-5-chloro-6H-quinazolin-4-one?
The IUPAC name of 6-bromo-5-chloro-6H-quinazolin-4-one (CID 76845580) is 6-bromo-5-chloro-6H-quinazolin-4-one.
What is the SMILES notation for 6-bromo-5-chloro-6H-quinazolin-4-one?
The canonical SMILES for 6-bromo-5-chloro-6H-quinazolin-4-one is O=C1N=CN=C2C=CC(Br)C(Cl)=C12.
What is the InChIKey of 6-bromo-5-chloro-6H-quinazolin-4-one?
The InChIKey is KWORRVPDJAJGSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4BrClN2O/c9-4-1-2-5-6(7(4)10)8(13)12-3-11-5/h1-4H.
What are the key properties of 6-bromo-5-chloro-6H-quinazolin-4-one?
6-bromo-5-chloro-6H-quinazolin-4-one has a molecular weight of 259.49 g/mol, XLogP of 1.82, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-5-chloro-6H-quinazolin-4-one is sourced from PubChem (CID 76845580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).