1-(6-bromo-3,4-dihydro-2H-quinolin-1-yl)-2-(2-methoxyethoxy)ethanone

C14H18BrNO3 — CID 60538172

IUPAC1-(6-bromo-3,4-dihydro-2H-quinolin-1-yl)-2-(2-methoxyethoxy)ethanone
SMILESCOCCOCC(=O)N1CCCc2cc(Br)ccc21
InChIInChI=1S/C14H18BrNO3/c1-18-7-8-19-10-14(17)16-6-2-3-11-9-12(15)4-5-13(11)16/h4-5,9H,2-3,6-8,10H2,1H3
InChIKeyJAEFPMCIFFGYDC-UHFFFAOYSA-N
MW328.21 g/mol
LogP2.39
Rot. Bonds5

About 1-(6-bromo-3,4-dihydro-2H-quinolin-1-yl)-2-(2-methoxyethoxy)ethanone

1-(6-bromo-3,4-dihydro-2H-quinolin-1-yl)-2-(2-methoxyethoxy)ethanone (PubChem CID 60538172) has the molecular formula C14H18BrNO3 and a molecular weight of 328.21 g/mol. Its IUPAC name is 1-(6-bromo-3,4-dihydro-2H-quinolin-1-yl)-2-(2-methoxyethoxy)ethanone.

Molecular Properties

Compound Name1-(6-bromo-3,4-dihydro-2H-quinolin-1-yl)-2-(2-methoxyethoxy)ethanone
PubChem CID60538172
Molecular FormulaC14H18BrNO3
Molecular Weight328.21 g/mol
Exact Mass327.05
IUPAC Name1-(6-bromo-3,4-dihydro-2H-quinolin-1-yl)-2-(2-methoxyethoxy)ethanone
SMILESCOCCOCC(=O)N1CCCc2cc(Br)ccc21
InChIInChI=1S/C14H18BrNO3/c1-18-7-8-19-10-14(17)16-6-2-3-11-9-12(15)4-5-13(11)16/h4-5,9H,2-3,6-8,10H2,1H3
InChIKeyJAEFPMCIFFGYDC-UHFFFAOYSA-N
XLogP2.39
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.21
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(6-bromo-3,4-dihydro-2H-quinolin-1-yl)-2-(2-methoxyethoxy)ethanone 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

1-(6-bromo-3,4-dihydro-2H-quinolin-1-yl)-2-(4-methoxyphenoxy)ethanone
CID 55916431
1-(6-bromo-3,4-dihydro-2H-quinolin-1-yl)-2-phenylmethoxyethanone
CID 55915276
1-(6-amino-3,4-dihydro-2H-quinolin-1-yl)-2-propoxyethanone
CID 107937337
tert-butyl N-[2-(6-bromo-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-N-methylcarbamate
CID 56568100
2-bromo-1-[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-6-yl]propan-1-one
CID 82258697
4-bromo-N-(1-propanoyl-3,4-dihydro-2H-quinolin-6-yl)benzamide
CID 16896591
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]ethanone
CID 2361983
2-(4-bromophenoxy)-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 730148
1-[2-(2-methoxyethylsulfanyl)acetyl]-3,4-dihydro-2H-quinoline-6-carboxylic acid
CID 43359849
4-[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-6-yl]butanoic acid
CID 82260139
2-(4-bromo-2-fluorophenoxy)-1-(6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 55661300
4-fluoro-N-[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-6-yl]benzamide
CID 16834722

Frequently Asked Questions

What is the IUPAC name of 1-(6-bromo-3,4-dihydro-2H-quinolin-1-yl)-2-(2-methoxyethoxy)ethanone?
The IUPAC name of 1-(6-bromo-3,4-dihydro-2H-quinolin-1-yl)-2-(2-methoxyethoxy)ethanone (CID 60538172) is 1-(6-bromo-3,4-dihydro-2H-quinolin-1-yl)-2-(2-methoxyethoxy)ethanone.
What is the SMILES notation for 1-(6-bromo-3,4-dihydro-2H-quinolin-1-yl)-2-(2-methoxyethoxy)ethanone?
The canonical SMILES for 1-(6-bromo-3,4-dihydro-2H-quinolin-1-yl)-2-(2-methoxyethoxy)ethanone is COCCOCC(=O)N1CCCc2cc(Br)ccc21.
What is the InChIKey of 1-(6-bromo-3,4-dihydro-2H-quinolin-1-yl)-2-(2-methoxyethoxy)ethanone?
The InChIKey is JAEFPMCIFFGYDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNO3/c1-18-7-8-19-10-14(17)16-6-2-3-11-9-12(15)4-5-13(11)16/h4-5,9H,2-3,6-8,10H2,1H3.
What are the key properties of 1-(6-bromo-3,4-dihydro-2H-quinolin-1-yl)-2-(2-methoxyethoxy)ethanone?
1-(6-bromo-3,4-dihydro-2H-quinolin-1-yl)-2-(2-methoxyethoxy)ethanone has a molecular weight of 328.21 g/mol, XLogP of 2.39, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-bromo-3,4-dihydro-2H-quinolin-1-yl)-2-(2-methoxyethoxy)ethanone is sourced from PubChem (CID 60538172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).