5-bromo-2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]benzaldehyde

C18H16BrNO3 — CID 7820189

IUPAC5-bromo-2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]benzaldehyde
SMILESO=Cc1cc(Br)ccc1OCC(=O)N1CCCc2ccccc21
InChIInChI=1S/C18H16BrNO3/c19-15-7-8-17(14(10-15)11-21)23-12-18(22)20-9-3-5-13-4-1-2-6-16(13)20/h1-2,4,6-8,10-11H,3,5,9,12H2
InChIKeyIAPQLBZEXFSSAJ-UHFFFAOYSA-N
MW374.23 g/mol
LogP3.62
Rot. Bonds4

About 5-bromo-2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]benzaldehyde

5-bromo-2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]benzaldehyde (PubChem CID 7820189) has the molecular formula C18H16BrNO3 and a molecular weight of 374.23 g/mol. Its IUPAC name is 5-bromo-2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]benzaldehyde.

Molecular Properties

Compound Name5-bromo-2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]benzaldehyde
PubChem CID7820189
Molecular FormulaC18H16BrNO3
Molecular Weight374.23 g/mol
Exact Mass373.03
IUPAC Name5-bromo-2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]benzaldehyde
SMILESO=Cc1cc(Br)ccc1OCC(=O)N1CCCc2ccccc21
InChIInChI=1S/C18H16BrNO3/c19-15-7-8-17(14(10-15)11-21)23-12-18(22)20-9-3-5-13-4-1-2-6-16(13)20/h1-2,4,6-8,10-11H,3,5,9,12H2
InChIKeyIAPQLBZEXFSSAJ-UHFFFAOYSA-N
XLogP3.62
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.23
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-bromo-2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]benzaldehyde 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

2-(4-bromophenoxy)-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 730148
3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]-4-methoxybenzaldehyde
CID 7611783
2-(2-tert-butyl-4-methylphenoxy)-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 3285362
2-bromo-5-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]-4-methoxybenzaldehyde
CID 7568920
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]ethanone
CID 2361983
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(2-phenylphenoxy)ethanone
CID 7919443
2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]-4-methylbenzoic acid
CID 45418422
[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] (E)-3-(3-bromophenyl)prop-2-enoate
CID 7808503
5-bromo-2-[2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethoxy]benzaldehyde
CID 9006939
2-(4-bromo-2-fluorophenoxy)-1-(6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 55661300
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-phenylphenoxy)ethanone
CID 2788983
2-(3-bromophenyl)-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 100699588

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]benzaldehyde?
The IUPAC name of 5-bromo-2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]benzaldehyde (CID 7820189) is 5-bromo-2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]benzaldehyde.
What is the SMILES notation for 5-bromo-2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]benzaldehyde?
The canonical SMILES for 5-bromo-2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]benzaldehyde is O=Cc1cc(Br)ccc1OCC(=O)N1CCCc2ccccc21.
What is the InChIKey of 5-bromo-2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]benzaldehyde?
The InChIKey is IAPQLBZEXFSSAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrNO3/c19-15-7-8-17(14(10-15)11-21)23-12-18(22)20-9-3-5-13-4-1-2-6-16(13)20/h1-2,4,6-8,10-11H,3,5,9,12H2.
What are the key properties of 5-bromo-2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]benzaldehyde?
5-bromo-2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]benzaldehyde has a molecular weight of 374.23 g/mol, XLogP of 3.62, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]benzaldehyde is sourced from PubChem (CID 7820189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).