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

C9H7BrN2O — CID 135743687

IUPAC8-bromo-6-methyl-3H-quinazolin-4-one
SMILESCc1cc(Br)c2nc[nH]c(=O)c2c1
InChIInChI=1S/C9H7BrN2O/c1-5-2-6-8(7(10)3-5)11-4-12-9(6)13/h2-4H,1H3,(H,11,12,13)
InChIKeyKEBPNLDDFILTLR-UHFFFAOYSA-N
MW239.07 g/mol
LogP1.99
Rot. Bonds

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

8-bromo-6-methyl-3H-quinazolin-4-one (PubChem CID 135743687) has the molecular formula C9H7BrN2O and a molecular weight of 239.07 g/mol. Its IUPAC name is 8-bromo-6-methyl-3H-quinazolin-4-one.

Molecular Properties

Compound Name8-bromo-6-methyl-3H-quinazolin-4-one
PubChem CID135743687
Molecular FormulaC9H7BrN2O
Molecular Weight239.07 g/mol
Exact Mass237.97
IUPAC Name8-bromo-6-methyl-3H-quinazolin-4-one
SMILESCc1cc(Br)c2nc[nH]c(=O)c2c1
InChIInChI=1S/C9H7BrN2O/c1-5-2-6-8(7(10)3-5)11-4-12-9(6)13/h2-4H,1H3,(H,11,12,13)
InChIKeyKEBPNLDDFILTLR-UHFFFAOYSA-N
XLogP1.99
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.07
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 8-bromo-6-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-methyl-3H-quinazolin-4-one?
The IUPAC name of 8-bromo-6-methyl-3H-quinazolin-4-one (CID 135743687) is 8-bromo-6-methyl-3H-quinazolin-4-one.
What is the SMILES notation for 8-bromo-6-methyl-3H-quinazolin-4-one?
The canonical SMILES for 8-bromo-6-methyl-3H-quinazolin-4-one is Cc1cc(Br)c2nc[nH]c(=O)c2c1.
What is the InChIKey of 8-bromo-6-methyl-3H-quinazolin-4-one?
The InChIKey is KEBPNLDDFILTLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrN2O/c1-5-2-6-8(7(10)3-5)11-4-12-9(6)13/h2-4H,1H3,(H,11,12,13).
What are the key properties of 8-bromo-6-methyl-3H-quinazolin-4-one?
8-bromo-6-methyl-3H-quinazolin-4-one has a molecular weight of 239.07 g/mol, XLogP of 1.99, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-6-methyl-3H-quinazolin-4-one is sourced from PubChem (CID 135743687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).