[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-(3-acetylphenoxy)acetate

C21H21NO5 — CID 7903078

IUPAC[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-(3-acetylphenoxy)acetate
SMILESCC(=O)c1cccc(OCC(=O)OCC(=O)N2CCCc3ccccc32)c1
InChIInChI=1S/C21H21NO5/c1-15(23)17-7-4-9-18(12-17)26-14-21(25)27-13-20(24)22-11-5-8-16-6-2-3-10-19(16)22/h2-4,6-7,9-10,12H,5,8,11,13-14H2,1H3
InChIKeyUJQYMMOTTMKOKT-UHFFFAOYSA-N
MW367.40 g/mol
LogP2.79
Rot. Bonds6

About [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-(3-acetylphenoxy)acetate

[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-(3-acetylphenoxy)acetate (PubChem CID 7903078) has the molecular formula C21H21NO5 and a molecular weight of 367.40 g/mol. Its IUPAC name is [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-(3-acetylphenoxy)acetate.

Molecular Properties

Compound Name[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-(3-acetylphenoxy)acetate
PubChem CID7903078
Molecular FormulaC21H21NO5
Molecular Weight367.40 g/mol
Exact Mass367.14
IUPAC Name[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-(3-acetylphenoxy)acetate
SMILESCC(=O)c1cccc(OCC(=O)OCC(=O)N2CCCc3ccccc32)c1
InChIInChI=1S/C21H21NO5/c1-15(23)17-7-4-9-18(12-17)26-14-21(25)27-13-20(24)22-11-5-8-16-6-2-3-10-19(16)22/h2-4,6-7,9-10,12H,5,8,11,13-14H2,1H3
InChIKeyUJQYMMOTTMKOKT-UHFFFAOYSA-N
XLogP2.79
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.40
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-(3-acetylphenoxy)acetate with MolForge

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Related Compounds

[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-(4-chloro-3-methylphenoxy)acetate
CID 7846175
[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-(2-methylphenoxy)acetate
CID 7767831
N-cyclopropyl-3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]benzamide
CID 60522591
[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-(2-fluorophenoxy)acetate
CID 7842352
[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] benzoate
CID 2361400
[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 4-oxo-4-phenylbutanoate
CID 40691302
[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 3-methylsulfonylbenzoate
CID 18081809
[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-phenylacetate
CID 55319315
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(7-methoxynaphthalen-2-yl)oxyethanone
CID 7652736
2-(3-aminophenoxy)-1-(2,3-dihydroindol-1-yl)ethanone
CID 61035060
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]ethanone
CID 2361983
2-(5-acetyl-2-methoxyphenyl)-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 43024576

Frequently Asked Questions

What is the IUPAC name of [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-(3-acetylphenoxy)acetate?
The IUPAC name of [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-(3-acetylphenoxy)acetate (CID 7903078) is [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-(3-acetylphenoxy)acetate.
What is the SMILES notation for [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-(3-acetylphenoxy)acetate?
The canonical SMILES for [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-(3-acetylphenoxy)acetate is CC(=O)c1cccc(OCC(=O)OCC(=O)N2CCCc3ccccc32)c1.
What is the InChIKey of [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-(3-acetylphenoxy)acetate?
The InChIKey is UJQYMMOTTMKOKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO5/c1-15(23)17-7-4-9-18(12-17)26-14-21(25)27-13-20(24)22-11-5-8-16-6-2-3-10-19(16)22/h2-4,6-7,9-10,12H,5,8,11,13-14H2,1H3.
What are the key properties of [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-(3-acetylphenoxy)acetate?
[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-(3-acetylphenoxy)acetate has a molecular weight of 367.40 g/mol, XLogP of 2.79, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-(3-acetylphenoxy)acetate is sourced from PubChem (CID 7903078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).