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

C10H9BrN2O2 — CID 59898751

IUPAC2-(bromomethyl)-3-methoxyquinazolin-4-one
SMILESCOn1c(CBr)nc2ccccc2c1=O
InChIInChI=1S/C10H9BrN2O2/c1-15-13-9(6-11)12-8-5-3-2-4-7(8)10(13)14/h2-5H,6H2,1H3
InChIKeyHJSMZGKLDGLCCF-UHFFFAOYSA-N
MW269.10 g/mol
LogP1.35
Rot. Bonds2

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

2-(bromomethyl)-3-methoxyquinazolin-4-one (PubChem CID 59898751) has the molecular formula C10H9BrN2O2 and a molecular weight of 269.10 g/mol. Its IUPAC name is 2-(bromomethyl)-3-methoxyquinazolin-4-one.

Molecular Properties

Compound Name2-(bromomethyl)-3-methoxyquinazolin-4-one
PubChem CID59898751
Molecular FormulaC10H9BrN2O2
Molecular Weight269.10 g/mol
Exact Mass267.98
IUPAC Name2-(bromomethyl)-3-methoxyquinazolin-4-one
SMILESCOn1c(CBr)nc2ccccc2c1=O
InChIInChI=1S/C10H9BrN2O2/c1-15-13-9(6-11)12-8-5-3-2-4-7(8)10(13)14/h2-5H,6H2,1H3
InChIKeyHJSMZGKLDGLCCF-UHFFFAOYSA-N
XLogP1.35
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.10
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(bromomethyl)-3-methylquinazolin-4-one
CID 15707759
2-(bromomethyl)-3-(4-methylphenyl)quinazolin-4-one
CID 15561402
methyl 2-[2-(bromomethyl)-4-oxoquinazolin-3-yl]benzoate
CID 11349298
3-methoxy-2-propan-2-ylsulfanylquinazolin-4-one
CID 938390
ethane;2-ethyl-3-methylquinazolin-4-one
CID 143999559
ethane;2-(hydroxymethyl)-3-methylquinazolin-4-one
CID 91302678
3-[(E)-benzylideneamino]-2-(bromomethyl)quinazolin-4-one
CID 25197636
2-(bromomethyl)-3-(3,4-dichlorophenyl)quinazolin-4-one
CID 21216044
2-[(2-chlorophenyl)methylsulfanyl]-3-methoxyquinazolin-4-one
CID 936945
ethyl (2S)-2-(3-methoxy-4-oxoquinazolin-2-yl)sulfanylpropanoate
CID 942363
N,N-diethyl-2-(3-methoxy-4-oxoquinazolin-2-yl)sulfanylacetamide
CID 664383
2-[(dimethylamino)methyl]-3-hydroxyquinazolin-4-one;ethane
CID 91440564

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-3-methoxyquinazolin-4-one?
The IUPAC name of 2-(bromomethyl)-3-methoxyquinazolin-4-one (CID 59898751) is 2-(bromomethyl)-3-methoxyquinazolin-4-one.
What is the SMILES notation for 2-(bromomethyl)-3-methoxyquinazolin-4-one?
The canonical SMILES for 2-(bromomethyl)-3-methoxyquinazolin-4-one is COn1c(CBr)nc2ccccc2c1=O.
What is the InChIKey of 2-(bromomethyl)-3-methoxyquinazolin-4-one?
The InChIKey is HJSMZGKLDGLCCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2O2/c1-15-13-9(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-methoxyquinazolin-4-one?
2-(bromomethyl)-3-methoxyquinazolin-4-one has a molecular weight of 269.10 g/mol, XLogP of 1.35, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-3-methoxyquinazolin-4-one is sourced from PubChem (CID 59898751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).