8-(2-bromoethoxy)-6-fluoro-3,4-dihydro-1H-quinolin-2-one

C11H11BrFNO2 — CID 139712242

IUPAC8-(2-bromoethoxy)-6-fluoro-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(F)cc(OCCBr)c2N1
InChIInChI=1S/C11H11BrFNO2/c12-3-4-16-9-6-8(13)5-7-1-2-10(15)14-11(7)9/h5-6H,1-4H2,(H,14,15)
InChIKeyBLXVYWSFMLELMY-UHFFFAOYSA-N
MW288.12 g/mol
LogP2.48
Rot. Bonds3

About 8-(2-bromoethoxy)-6-fluoro-3,4-dihydro-1H-quinolin-2-one

8-(2-bromoethoxy)-6-fluoro-3,4-dihydro-1H-quinolin-2-one (PubChem CID 139712242) has the molecular formula C11H11BrFNO2 and a molecular weight of 288.12 g/mol. Its IUPAC name is 8-(2-bromoethoxy)-6-fluoro-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name8-(2-bromoethoxy)-6-fluoro-3,4-dihydro-1H-quinolin-2-one
PubChem CID139712242
Molecular FormulaC11H11BrFNO2
Molecular Weight288.12 g/mol
Exact Mass287.00
IUPAC Name8-(2-bromoethoxy)-6-fluoro-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(F)cc(OCCBr)c2N1
InChIInChI=1S/C11H11BrFNO2/c12-3-4-16-9-6-8(13)5-7-1-2-10(15)14-11(7)9/h5-6H,1-4H2,(H,14,15)
InChIKeyBLXVYWSFMLELMY-UHFFFAOYSA-N
XLogP2.48
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.12
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 8-(2-bromoethoxy)-6-fluoro-3,4-dihydro-1H-quinolin-2-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

8-[3-(tert-butylamino)-2-hydroxypropoxy]-3,4-dihydro-1H-quinolin-2-one
CID 12961383
Octadec-9-enoic acid (2-ethoxy-6-methyl-phenyl)-amide
CID 44288607
6-(3-phenylpropoxy)-3,4-dihydro-1H-quinolin-2-one
CID 72191362
6-(Benzyloxy)-3,4-dihydroquinolin-2(1H)-one
CID 44565882
2(1H)-Quinolinone, 3,4-dihydro-8-(2-hydroxy-3-((1-methylethyl)amino)propoxy)-, monohydrochloride
CID 3040185
3,4-Dihydro-8-methoxy-2(1H)-quinolinone
CID 13375476
6-(2-phenylethoxy)-3,4-dihydro-1H-quinolin-2-one
CID 72191056
6-Hexyloxy-3,4-dihydro-2(1h)-quinolinone
CID 13109818
N-(4-fluorophenyl)-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide
CID 33163089
2-[(2-oxo-3,4-dihydro-1H-quinolin-8-yl)oxy]-N-phenylacetamide
CID 71570213
N-(4-fluorophenyl)-2-[(2-oxo-3,4-dihydro-1H-quinolin-8-yl)oxy]acetamide
CID 71570214
N-(4-methoxyphenyl)-2-[(2-oxo-3,4-dihydro-1H-quinolin-8-yl)oxy]acetamide
CID 71570215

Frequently Asked Questions

What is the IUPAC name of 8-(2-bromoethoxy)-6-fluoro-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 8-(2-bromoethoxy)-6-fluoro-3,4-dihydro-1H-quinolin-2-one (CID 139712242) is 8-(2-bromoethoxy)-6-fluoro-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 8-(2-bromoethoxy)-6-fluoro-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 8-(2-bromoethoxy)-6-fluoro-3,4-dihydro-1H-quinolin-2-one is O=C1CCc2cc(F)cc(OCCBr)c2N1.
What is the InChIKey of 8-(2-bromoethoxy)-6-fluoro-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is BLXVYWSFMLELMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrFNO2/c12-3-4-16-9-6-8(13)5-7-1-2-10(15)14-11(7)9/h5-6H,1-4H2,(H,14,15).
What are the key properties of 8-(2-bromoethoxy)-6-fluoro-3,4-dihydro-1H-quinolin-2-one?
8-(2-bromoethoxy)-6-fluoro-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 288.12 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-bromoethoxy)-6-fluoro-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 139712242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).