3-(bromomethoxy)-1H-quinolin-4-one

C10H8BrNO2 — CID 156738403

IUPAC3-(bromomethoxy)-1H-quinolin-4-one
SMILESO=c1c(OCBr)c[nH]c2ccccc12
InChIInChI=1S/C10H8BrNO2/c11-6-14-9-5-12-8-4-2-1-3-7(8)10(9)13/h1-5H,6H2,(H,12,13)
InChIKeyOBLHMKHGOZXVOK-UHFFFAOYSA-N
MW254.08 g/mol
LogP2.26
Rot. Bonds2

About 3-(bromomethoxy)-1H-quinolin-4-one

3-(bromomethoxy)-1H-quinolin-4-one (PubChem CID 156738403) has the molecular formula C10H8BrNO2 and a molecular weight of 254.08 g/mol. Its IUPAC name is 3-(bromomethoxy)-1H-quinolin-4-one.

Molecular Properties

Compound Name3-(bromomethoxy)-1H-quinolin-4-one
PubChem CID156738403
Molecular FormulaC10H8BrNO2
Molecular Weight254.08 g/mol
Exact Mass252.97
IUPAC Name3-(bromomethoxy)-1H-quinolin-4-one
SMILESO=c1c(OCBr)c[nH]c2ccccc12
InChIInChI=1S/C10H8BrNO2/c11-6-14-9-5-12-8-4-2-1-3-7(8)10(9)13/h1-5H,6H2,(H,12,13)
InChIKeyOBLHMKHGOZXVOK-UHFFFAOYSA-N
XLogP2.26
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.08
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(bromomethoxy)-1H-quinolin-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

Related Compounds

3-(cyclohexa-1,3-dien-1-ylmethoxy)-1H-quinolin-4-one
CID 67636357
3-ethyl-1H-quinolin-4-one
CID 10374897
1H-indol-3-yloxymethanol
CID 169101748
2-(1H-indol-3-yloxy)ethyl-trimethylazanium
CID 173099162
3-(methylamino)-1H-quinolin-4-one
CID 119084506
2-bromo-1-(1H-indol-3-yl)ethanone
CID 11310936
3-methylperoxy-1H-indole
CID 21122990
3-[(2-methoxyanilino)methyl]-1H-quinolin-4-one
CID 137470450
N-(1H-indol-3-yloxymethyl)-N-methylethanamine
CID 68875687
3,4,5-trihydroxy-6-[(4-oxo-1H-quinolin-3-yl)oxy]oxane-2-carboxylic acid
CID 162906655
10H-acridin-9-one;ethane
CID 91525380
3-(4-methylphenyl)-1H-quinolin-4-one
CID 15930283

Frequently Asked Questions

What is the IUPAC name of 3-(bromomethoxy)-1H-quinolin-4-one?
The IUPAC name of 3-(bromomethoxy)-1H-quinolin-4-one (CID 156738403) is 3-(bromomethoxy)-1H-quinolin-4-one.
What is the SMILES notation for 3-(bromomethoxy)-1H-quinolin-4-one?
The canonical SMILES for 3-(bromomethoxy)-1H-quinolin-4-one is O=c1c(OCBr)c[nH]c2ccccc12.
What is the InChIKey of 3-(bromomethoxy)-1H-quinolin-4-one?
The InChIKey is OBLHMKHGOZXVOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrNO2/c11-6-14-9-5-12-8-4-2-1-3-7(8)10(9)13/h1-5H,6H2,(H,12,13).
What are the key properties of 3-(bromomethoxy)-1H-quinolin-4-one?
3-(bromomethoxy)-1H-quinolin-4-one has a molecular weight of 254.08 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(bromomethoxy)-1H-quinolin-4-one is sourced from PubChem (CID 156738403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).