1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-(3-methylbutoxy)phenoxy]ethanone

C22H27NO3 — CID 4732912

IUPAC1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-(3-methylbutoxy)phenoxy]ethanone
SMILESCC(C)CCOc1ccc(OCC(=O)N2CCCc3ccccc32)cc1
InChIInChI=1S/C22H27NO3/c1-17(2)13-15-25-19-9-11-20(12-10-19)26-16-22(24)23-14-5-7-18-6-3-4-8-21(18)23/h3-4,6,8-12,17H,5,7,13-16H2,1-2H3
InChIKeyVEYOHBTXWSJFCA-UHFFFAOYSA-N
MW353.46 g/mol
LogP4.47
Rot. Bonds7

About 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-(3-methylbutoxy)phenoxy]ethanone

1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-(3-methylbutoxy)phenoxy]ethanone (PubChem CID 4732912) has the molecular formula C22H27NO3 and a molecular weight of 353.46 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-(3-methylbutoxy)phenoxy]ethanone.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-(3-methylbutoxy)phenoxy]ethanone
PubChem CID4732912
Molecular FormulaC22H27NO3
Molecular Weight353.46 g/mol
Exact Mass353.20
IUPAC Name1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-(3-methylbutoxy)phenoxy]ethanone
SMILESCC(C)CCOc1ccc(OCC(=O)N2CCCc3ccccc32)cc1
InChIInChI=1S/C22H27NO3/c1-17(2)13-15-25-19-9-11-20(12-10-19)26-16-22(24)23-14-5-7-18-6-3-4-8-21(18)23/h3-4,6,8-12,17H,5,7,13-16H2,1-2H3
InChIKeyVEYOHBTXWSJFCA-UHFFFAOYSA-N
XLogP4.47
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.46
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-(3-methylbutoxy)phenoxy]ethanone with MolForge

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Related Compounds

2-(4-bromophenoxy)-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 730148
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-phenylphenoxy)ethanone
CID 2788983
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(7-methoxynaphthalen-2-yl)oxyethanone
CID 7652736
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]ethanone
CID 2361983
N-[[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]phenyl]methyl]-N-methylmethanesulfonamide
CID 21368049
1-(7-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-phenoxyethanone
CID 110749866
1-(2,3-dihydroindol-1-yl)-2-(4-fluorophenoxy)ethanone
CID 828891
1-(2,3-dihydroindol-1-yl)-2-(4-iodophenoxy)ethanone
CID 1242466
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-heptoxyanilino)ethanone
CID 54822111
1-(2,3-dihydroindol-1-yl)-2-(4-methylsulfanylphenoxy)ethanone
CID 895153
[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] (2S)-2-(4-bromophenoxy)propanoate
CID 7754876
[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] (2R)-2-(4-chlorophenoxy)propanoate
CID 8867443

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-(3-methylbutoxy)phenoxy]ethanone?
The IUPAC name of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-(3-methylbutoxy)phenoxy]ethanone (CID 4732912) is 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-(3-methylbutoxy)phenoxy]ethanone.
What is the SMILES notation for 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-(3-methylbutoxy)phenoxy]ethanone?
The canonical SMILES for 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-(3-methylbutoxy)phenoxy]ethanone is CC(C)CCOc1ccc(OCC(=O)N2CCCc3ccccc32)cc1.
What is the InChIKey of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-(3-methylbutoxy)phenoxy]ethanone?
The InChIKey is VEYOHBTXWSJFCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO3/c1-17(2)13-15-25-19-9-11-20(12-10-19)26-16-22(24)23-14-5-7-18-6-3-4-8-21(18)23/h3-4,6,8-12,17H,5,7,13-16H2,1-2H3.
What are the key properties of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-(3-methylbutoxy)phenoxy]ethanone?
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-(3-methylbutoxy)phenoxy]ethanone has a molecular weight of 353.46 g/mol, XLogP of 4.47, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-(3-methylbutoxy)phenoxy]ethanone is sourced from PubChem (CID 4732912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).