6,8-dibromo-2-methyl-8H-quinazolin-4-one

C9H6Br2N2O — CID 85179057

IUPAC6,8-dibromo-2-methyl-8H-quinazolin-4-one
SMILESCC1=NC(=O)C2=CC(Br)=CC(Br)C2=N1
InChIInChI=1S/C9H6Br2N2O/c1-4-12-8-6(9(14)13-4)2-5(10)3-7(8)11/h2-3,7H,1H3
InChIKeyTVGMXSQBGMJJIQ-UHFFFAOYSA-N
MW317.97 g/mol
LogP2.37
Rot. Bonds

About 6,8-dibromo-2-methyl-8H-quinazolin-4-one

6,8-dibromo-2-methyl-8H-quinazolin-4-one (PubChem CID 85179057) has the molecular formula C9H6Br2N2O and a molecular weight of 317.97 g/mol. Its IUPAC name is 6,8-dibromo-2-methyl-8H-quinazolin-4-one.

Molecular Properties

Compound Name6,8-dibromo-2-methyl-8H-quinazolin-4-one
PubChem CID85179057
Molecular FormulaC9H6Br2N2O
Molecular Weight317.97 g/mol
Exact Mass315.88
IUPAC Name6,8-dibromo-2-methyl-8H-quinazolin-4-one
SMILESCC1=NC(=O)C2=CC(Br)=CC(Br)C2=N1
InChIInChI=1S/C9H6Br2N2O/c1-4-12-8-6(9(14)13-4)2-5(10)3-7(8)11/h2-3,7H,1H3
InChIKeyTVGMXSQBGMJJIQ-UHFFFAOYSA-N
XLogP2.37
TPSA41.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.97
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

8-bromo-6-fluoro-8H-quinazolin-4-one
CID 77250427
8-bromo-6-fluoro-2-methyl-8H-quinazolin-4-one
CID 146674855
6-bromo-8H-quinazolin-4-one
CID 91607100
8,8-Dibromoquinazolin-4-one
CID 174762623
8-bromo-8H-quinazolin-4-one
CID 71304081
8-bromo-2-chloro-8H-quinazolin-4-one
CID 73886761
8-bromo-6-methyl-8H-quinazolin-4-one
CID 76039078
2-amino-8-bromo-8H-quinazolin-4-one
CID 76057176
6,8-dibromo-8H-quinazolin-4-one
CID 76844815
6-bromo-2-methyl-6H-quinazolin-4-one
CID 76844829
6-(bromomethyl)-2-methyl-6H-quinazolin-4-one
CID 76844834

Frequently Asked Questions

What is the IUPAC name of 6,8-dibromo-2-methyl-8H-quinazolin-4-one?
The IUPAC name of 6,8-dibromo-2-methyl-8H-quinazolin-4-one (CID 85179057) is 6,8-dibromo-2-methyl-8H-quinazolin-4-one.
What is the SMILES notation for 6,8-dibromo-2-methyl-8H-quinazolin-4-one?
The canonical SMILES for 6,8-dibromo-2-methyl-8H-quinazolin-4-one is CC1=NC(=O)C2=CC(Br)=CC(Br)C2=N1.
What is the InChIKey of 6,8-dibromo-2-methyl-8H-quinazolin-4-one?
The InChIKey is TVGMXSQBGMJJIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6Br2N2O/c1-4-12-8-6(9(14)13-4)2-5(10)3-7(8)11/h2-3,7H,1H3.
What are the key properties of 6,8-dibromo-2-methyl-8H-quinazolin-4-one?
6,8-dibromo-2-methyl-8H-quinazolin-4-one has a molecular weight of 317.97 g/mol, XLogP of 2.37, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dibromo-2-methyl-8H-quinazolin-4-one is sourced from PubChem (CID 85179057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).