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

C23H22N2O4S — CID 60611695

IUPAC[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetate
SMILESO=C(CSCc1coc(-c2ccccc2)n1)OCC(=O)N1CCCc2ccccc21
InChIInChI=1S/C23H22N2O4S/c26-21(25-12-6-10-17-7-4-5-11-20(17)25)14-28-22(27)16-30-15-19-13-29-23(24-19)18-8-2-1-3-9-18/h1-5,7-9,11,13H,6,10,12,14-16H2
InChIKeyAJVTWYCREPUYHK-UHFFFAOYSA-N
MW422.51 g/mol
LogP4.10
Rot. Bonds7

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

[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetate (PubChem CID 60611695) has the molecular formula C23H22N2O4S and a molecular weight of 422.51 g/mol. Its IUPAC name is [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetate.

Molecular Properties

Compound Name[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetate
PubChem CID60611695
Molecular FormulaC23H22N2O4S
Molecular Weight422.51 g/mol
Exact Mass422.13
IUPAC Name[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetate
SMILESO=C(CSCc1coc(-c2ccccc2)n1)OCC(=O)N1CCCc2ccccc21
InChIInChI=1S/C23H22N2O4S/c26-21(25-12-6-10-17-7-4-5-11-20(17)25)14-28-22(27)16-30-15-19-13-29-23(24-19)18-8-2-1-3-9-18/h1-5,7-9,11,13H,6,10,12,14-16H2
InChIKeyAJVTWYCREPUYHK-UHFFFAOYSA-N
XLogP4.10
TPSA72.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.51
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Launch Full Analysis

Related Compounds

1-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]ethanone
CID 55775034
[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-phenylacetate
CID 55319315
2-(2-phenyl-1,3-oxazol-4-yl)-1-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 55671842
[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
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]ethanone
CID 2361983
[2-[5-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]-2-oxoethyl] 2-(2-phenyl-1,3-oxazol-4-yl)acetate
CID 55449581
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-phenylphenoxy)ethanone
CID 2788983
[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetate
CID 8918626
[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-quinolin-8-ylacetate
CID 46696700
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]ethanone;hydrochloride
CID 120819308
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(2-phenylphenoxy)ethanone
CID 7919443

Frequently Asked Questions

What is the IUPAC name of [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetate?
The IUPAC name of [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetate (CID 60611695) is [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetate.
What is the SMILES notation for [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetate?
The canonical SMILES for [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetate is O=C(CSCc1coc(-c2ccccc2)n1)OCC(=O)N1CCCc2ccccc21.
What is the InChIKey of [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetate?
The InChIKey is AJVTWYCREPUYHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O4S/c26-21(25-12-6-10-17-7-4-5-11-20(17)25)14-28-22(27)16-30-15-19-13-29-23(24-19)18-8-2-1-3-9-18/h1-5,7-9,11,13H,6,10,12,14-16H2.
What are the key properties of [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetate?
[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetate has a molecular weight of 422.51 g/mol, XLogP of 4.10, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetate is sourced from PubChem (CID 60611695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).