6-(bromomethyl)-2-methyl-6H-quinazolin-4-one

C10H9BrN2O — CID 76844834

IUPAC6-(bromomethyl)-2-methyl-6H-quinazolin-4-one
SMILESCC1=NC(=O)C2=CC(CBr)C=CC2=N1
InChIInChI=1S/C10H9BrN2O/c1-6-12-9-3-2-7(5-11)4-8(9)10(14)13-6/h2-4,7H,5H2,1H3
InChIKeyNXZCRVWJOHNRLJ-UHFFFAOYSA-N
MW253.10 g/mol
LogP1.89
Rot. Bonds1

About 6-(bromomethyl)-2-methyl-6H-quinazolin-4-one

6-(bromomethyl)-2-methyl-6H-quinazolin-4-one (PubChem CID 76844834) has the molecular formula C10H9BrN2O and a molecular weight of 253.10 g/mol. Its IUPAC name is 6-(bromomethyl)-2-methyl-6H-quinazolin-4-one.

Molecular Properties

Compound Name6-(bromomethyl)-2-methyl-6H-quinazolin-4-one
PubChem CID76844834
Molecular FormulaC10H9BrN2O
Molecular Weight253.10 g/mol
Exact Mass251.99
IUPAC Name6-(bromomethyl)-2-methyl-6H-quinazolin-4-one
SMILESCC1=NC(=O)C2=CC(CBr)C=CC2=N1
InChIInChI=1S/C10H9BrN2O/c1-6-12-9-3-2-7(5-11)4-8(9)10(14)13-6/h2-4,7H,5H2,1H3
InChIKeyNXZCRVWJOHNRLJ-UHFFFAOYSA-N
XLogP1.89
TPSA41.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.10
LogP ≤ 51.89
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

6-fluoro-2-methyl-6H-quinazolin-4-one
CID 75210775
2-methyl-6-(trifluoromethyl)-6H-quinazolin-4-one
CID 76831073
Raltitrexed Impurity N1
CID 72208418
7-bromo-6H-quinazolin-4-one
CID 91025472
6-bromo-6H-quinazolin-4-one
CID 71303925
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
2-methyl-5aH-benzo[g]quinazolin-4-one
CID 76845217
6-iodo-2-methyl-6H-quinazolin-4-one
CID 78200311
6-bromo-2-(chloromethyl)-6H-quinazolin-4-one
CID 78258819
6,8-dibromo-2-methyl-8H-quinazolin-4-one
CID 85179057

Frequently Asked Questions

What is the IUPAC name of 6-(bromomethyl)-2-methyl-6H-quinazolin-4-one?
The IUPAC name of 6-(bromomethyl)-2-methyl-6H-quinazolin-4-one (CID 76844834) is 6-(bromomethyl)-2-methyl-6H-quinazolin-4-one.
What is the SMILES notation for 6-(bromomethyl)-2-methyl-6H-quinazolin-4-one?
The canonical SMILES for 6-(bromomethyl)-2-methyl-6H-quinazolin-4-one is CC1=NC(=O)C2=CC(CBr)C=CC2=N1.
What is the InChIKey of 6-(bromomethyl)-2-methyl-6H-quinazolin-4-one?
The InChIKey is NXZCRVWJOHNRLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2O/c1-6-12-9-3-2-7(5-11)4-8(9)10(14)13-6/h2-4,7H,5H2,1H3.
What are the key properties of 6-(bromomethyl)-2-methyl-6H-quinazolin-4-one?
6-(bromomethyl)-2-methyl-6H-quinazolin-4-one has a molecular weight of 253.10 g/mol, XLogP of 1.89, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(bromomethyl)-2-methyl-6H-quinazolin-4-one is sourced from PubChem (CID 76844834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).