[2-oxo-2-[(2-phenylacetyl)amino]ethyl] 3-quinolin-2-ylpropanoate

C22H20N2O4 — CID 29486304

IUPAC[2-oxo-2-[(2-phenylacetyl)amino]ethyl] 3-quinolin-2-ylpropanoate
SMILESO=C(COC(=O)CCc1ccc2ccccc2n1)NC(=O)Cc1ccccc1
InChIInChI=1S/C22H20N2O4/c25-20(14-16-6-2-1-3-7-16)24-21(26)15-28-22(27)13-12-18-11-10-17-8-4-5-9-19(17)23-18/h1-11H,12-15H2,(H,24,25,26)
InChIKeyMRJJOYDUBTZPIS-UHFFFAOYSA-N
MW376.41 g/mol
LogP2.60
Rot. Bonds7

About [2-oxo-2-[(2-phenylacetyl)amino]ethyl] 3-quinolin-2-ylpropanoate

[2-oxo-2-[(2-phenylacetyl)amino]ethyl] 3-quinolin-2-ylpropanoate (PubChem CID 29486304) has the molecular formula C22H20N2O4 and a molecular weight of 376.41 g/mol. Its IUPAC name is [2-oxo-2-[(2-phenylacetyl)amino]ethyl] 3-quinolin-2-ylpropanoate.

Molecular Properties

Compound Name[2-oxo-2-[(2-phenylacetyl)amino]ethyl] 3-quinolin-2-ylpropanoate
PubChem CID29486304
Molecular FormulaC22H20N2O4
Molecular Weight376.41 g/mol
Exact Mass376.14
IUPAC Name[2-oxo-2-[(2-phenylacetyl)amino]ethyl] 3-quinolin-2-ylpropanoate
SMILESO=C(COC(=O)CCc1ccc2ccccc2n1)NC(=O)Cc1ccccc1
InChIInChI=1S/C22H20N2O4/c25-20(14-16-6-2-1-3-7-16)24-21(26)15-28-22(27)13-12-18-11-10-17-8-4-5-9-19(17)23-18/h1-11H,12-15H2,(H,24,25,26)
InChIKeyMRJJOYDUBTZPIS-UHFFFAOYSA-N
XLogP2.60
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[(4-methylphenyl)methylamino]-2-oxoethyl] 3-quinolin-2-ylpropanoate
CID 29486260
[2-[(3-chlorophenyl)methylamino]-2-oxoethyl] 3-quinolin-2-ylpropanoate
CID 55367733
[2-oxo-2-[(1-phenylcyclopropyl)methylamino]ethyl] 3-quinolin-2-ylpropanoate
CID 55526039
[2-[1-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 3-quinolin-2-ylpropanoate
CID 55367848
[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 3-quinolin-2-ylpropanoate
CID 29486495
[2-oxo-2-(4-propylphenyl)ethyl] 3-quinolin-2-ylpropanoate
CID 55367871
[2-(4-fluoro-3-nitroanilino)-2-oxoethyl] 3-quinolin-2-ylpropanoate
CID 29486112
diethyl 3-methyl-5-[[2-(3-quinolin-2-ylpropanoyloxy)acetyl]amino]thiophene-2,4-dicarboxylate
CID 29486238
1,3-benzothiazol-2-ylmethyl 3-quinolin-2-ylpropanoate
CID 29486192
[2-oxo-2-[(2-phenylacetyl)amino]ethyl] 2-methoxyacetate
CID 2416190
(4-cyanophenyl)methyl 3-quinolin-2-ylpropanoate
CID 46811628
[2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-quinolin-2-ylpropanoate
CID 43026610

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[(2-phenylacetyl)amino]ethyl] 3-quinolin-2-ylpropanoate?
The IUPAC name of [2-oxo-2-[(2-phenylacetyl)amino]ethyl] 3-quinolin-2-ylpropanoate (CID 29486304) is [2-oxo-2-[(2-phenylacetyl)amino]ethyl] 3-quinolin-2-ylpropanoate.
What is the SMILES notation for [2-oxo-2-[(2-phenylacetyl)amino]ethyl] 3-quinolin-2-ylpropanoate?
The canonical SMILES for [2-oxo-2-[(2-phenylacetyl)amino]ethyl] 3-quinolin-2-ylpropanoate is O=C(COC(=O)CCc1ccc2ccccc2n1)NC(=O)Cc1ccccc1.
What is the InChIKey of [2-oxo-2-[(2-phenylacetyl)amino]ethyl] 3-quinolin-2-ylpropanoate?
The InChIKey is MRJJOYDUBTZPIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O4/c25-20(14-16-6-2-1-3-7-16)24-21(26)15-28-22(27)13-12-18-11-10-17-8-4-5-9-19(17)23-18/h1-11H,12-15H2,(H,24,25,26).
What are the key properties of [2-oxo-2-[(2-phenylacetyl)amino]ethyl] 3-quinolin-2-ylpropanoate?
[2-oxo-2-[(2-phenylacetyl)amino]ethyl] 3-quinolin-2-ylpropanoate has a molecular weight of 376.41 g/mol, XLogP of 2.60, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[(2-phenylacetyl)amino]ethyl] 3-quinolin-2-ylpropanoate is sourced from PubChem (CID 29486304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).