2-(bromomethyl)-3-methylquinazolin-4-one

C10H9BrN2O — CID 15707759

IUPAC2-(bromomethyl)-3-methylquinazolin-4-one
SMILESCn1c(CBr)nc2ccccc2c1=O
InChIInChI=1S/C10H9BrN2O/c1-13-9(6-11)12-8-5-3-2-4-7(8)10(13)14/h2-5H,6H2,1H3
InChIKeyPLBFSPVPSRJDDG-UHFFFAOYSA-N
MW253.10 g/mol
LogP1.83
Rot. Bonds1

About 2-(bromomethyl)-3-methylquinazolin-4-one

2-(bromomethyl)-3-methylquinazolin-4-one (PubChem CID 15707759) has the molecular formula C10H9BrN2O and a molecular weight of 253.10 g/mol. Its IUPAC name is 2-(bromomethyl)-3-methylquinazolin-4-one.

Molecular Properties

Compound Name2-(bromomethyl)-3-methylquinazolin-4-one
PubChem CID15707759
Molecular FormulaC10H9BrN2O
Molecular Weight253.10 g/mol
Exact Mass251.99
IUPAC Name2-(bromomethyl)-3-methylquinazolin-4-one
SMILESCn1c(CBr)nc2ccccc2c1=O
InChIInChI=1S/C10H9BrN2O/c1-13-9(6-11)12-8-5-3-2-4-7(8)10(13)14/h2-5H,6H2,1H3
InChIKeyPLBFSPVPSRJDDG-UHFFFAOYSA-N
XLogP1.83
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.10
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethane;2-ethyl-3-methylquinazolin-4-one
CID 143999559
ethane;2-(hydroxymethyl)-3-methylquinazolin-4-one
CID 91302678
2-(aminomethyl)-3-methylquinazolin-4-one;hydrochloride
CID 75537334
2-(bromomethyl)-3-methoxyquinazolin-4-one
CID 59898751
2-(bromomethyl)-3-(4-methylphenyl)quinazolin-4-one
CID 15561402
2-[(3-methyl-4-oxoquinazolin-2-yl)methoxy]acetic acid
CID 61394536
3-methyl-2-(2-piperidin-1-ylethyl)quinazolin-4-one
CID 102371390
3-methyl-2-[[4-[4-[(3-methyl-4-oxoquinazolin-2-yl)methylamino]phenyl]anilino]methyl]quinazolin-4-one
CID 139248827
methyl N-[(3-methyl-4-oxoquinazolin-2-yl)methyl]carbamate
CID 110352045
(3-methyl-4-oxoquinazolin-2-yl)methyl N-methylcarbamate
CID 71362008
3-[(E)-benzylideneamino]-2-(bromomethyl)quinazolin-4-one
CID 25197636
N-[(3-methyl-4-oxoquinazolin-2-yl)methyl]cyclohexanecarboxamide
CID 110351985

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-3-methylquinazolin-4-one?
The IUPAC name of 2-(bromomethyl)-3-methylquinazolin-4-one (CID 15707759) is 2-(bromomethyl)-3-methylquinazolin-4-one.
What is the SMILES notation for 2-(bromomethyl)-3-methylquinazolin-4-one?
The canonical SMILES for 2-(bromomethyl)-3-methylquinazolin-4-one is Cn1c(CBr)nc2ccccc2c1=O.
What is the InChIKey of 2-(bromomethyl)-3-methylquinazolin-4-one?
The InChIKey is PLBFSPVPSRJDDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2O/c1-13-9(6-11)12-8-5-3-2-4-7(8)10(13)14/h2-5H,6H2,1H3.
What are the key properties of 2-(bromomethyl)-3-methylquinazolin-4-one?
2-(bromomethyl)-3-methylquinazolin-4-one has a molecular weight of 253.10 g/mol, XLogP of 1.83, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-3-methylquinazolin-4-one is sourced from PubChem (CID 15707759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).