6-bromo-2-methyl-6H-quinazolin-4-one

C9H7BrN2O — CID 76844829

IUPAC6-bromo-2-methyl-6H-quinazolin-4-one
SMILESCC1=NC(=O)C2=CC(Br)C=CC2=N1
InChIInChI=1S/C9H7BrN2O/c1-5-11-8-3-2-6(10)4-7(8)9(13)12-5/h2-4,6H,1H3
InChIKeyDAYDOWHZLUWGKW-UHFFFAOYSA-N
MW239.07 g/mol
LogP1.65
Rot. Bonds

About 6-bromo-2-methyl-6H-quinazolin-4-one

6-bromo-2-methyl-6H-quinazolin-4-one (PubChem CID 76844829) has the molecular formula C9H7BrN2O and a molecular weight of 239.07 g/mol. Its IUPAC name is 6-bromo-2-methyl-6H-quinazolin-4-one.

Molecular Properties

Compound Name6-bromo-2-methyl-6H-quinazolin-4-one
PubChem CID76844829
Molecular FormulaC9H7BrN2O
Molecular Weight239.07 g/mol
Exact Mass237.97
IUPAC Name6-bromo-2-methyl-6H-quinazolin-4-one
SMILESCC1=NC(=O)C2=CC(Br)C=CC2=N1
InChIInChI=1S/C9H7BrN2O/c1-5-11-8-3-2-6(10)4-7(8)9(13)12-5/h2-4,6H,1H3
InChIKeyDAYDOWHZLUWGKW-UHFFFAOYSA-N
XLogP1.65
TPSA41.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.07
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6-bromo-2-methyl-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-fluoro-2-methyl-6H-quinazolin-4-one
CID 75210775
2-methyl-6-(trifluoromethyl)-6H-quinazolin-4-one
CID 76831073
8-bromo-6-fluoro-2-methyl-8H-quinazolin-4-one
CID 146674855
6-bromo-5-fluoro-6H-quinazolin-4-one
CID 178189768
7-bromo-6H-quinazolin-4-one
CID 91025472
6H-quinazolin-4-one
CID 165178648
6-bromo-6H-quinazolin-4-one
CID 71303925
2-Methylquinazoline-4,6-dione
CID 71303969
8-bromo-8H-quinazolin-4-one
CID 71304081
2-amino-6-bromo-6H-quinazolin-4-one
CID 72739156
6-bromo-2-chloro-6H-quinazolin-4-one
CID 73300429
8-bromo-2-chloro-8H-quinazolin-4-one
CID 73886761

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-methyl-6H-quinazolin-4-one?
The IUPAC name of 6-bromo-2-methyl-6H-quinazolin-4-one (CID 76844829) is 6-bromo-2-methyl-6H-quinazolin-4-one.
What is the SMILES notation for 6-bromo-2-methyl-6H-quinazolin-4-one?
The canonical SMILES for 6-bromo-2-methyl-6H-quinazolin-4-one is CC1=NC(=O)C2=CC(Br)C=CC2=N1.
What is the InChIKey of 6-bromo-2-methyl-6H-quinazolin-4-one?
The InChIKey is DAYDOWHZLUWGKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrN2O/c1-5-11-8-3-2-6(10)4-7(8)9(13)12-5/h2-4,6H,1H3.
What are the key properties of 6-bromo-2-methyl-6H-quinazolin-4-one?
6-bromo-2-methyl-6H-quinazolin-4-one has a molecular weight of 239.07 g/mol, XLogP of 1.65, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-methyl-6H-quinazolin-4-one is sourced from PubChem (CID 76844829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).