[2-[(4-methylphenyl)methylamino]-2-oxoethyl] 3-quinolin-2-ylpropanoate

C22H22N2O3 — CID 29486260

IUPAC[2-[(4-methylphenyl)methylamino]-2-oxoethyl] 3-quinolin-2-ylpropanoate
SMILESCc1ccc(CNC(=O)COC(=O)CCc2ccc3ccccc3n2)cc1
InChIInChI=1S/C22H22N2O3/c1-16-6-8-17(9-7-16)14-23-21(25)15-27-22(26)13-12-19-11-10-18-4-2-3-5-20(18)24-19/h2-11H,12-15H2,1H3,(H,23,25)
InChIKeyJRFJHEOPAAUUPK-UHFFFAOYSA-N
MW362.43 g/mol
LogP3.34
Rot. Bonds7

About [2-[(4-methylphenyl)methylamino]-2-oxoethyl] 3-quinolin-2-ylpropanoate

[2-[(4-methylphenyl)methylamino]-2-oxoethyl] 3-quinolin-2-ylpropanoate (PubChem CID 29486260) has the molecular formula C22H22N2O3 and a molecular weight of 362.43 g/mol. Its IUPAC name is [2-[(4-methylphenyl)methylamino]-2-oxoethyl] 3-quinolin-2-ylpropanoate.

Molecular Properties

Compound Name[2-[(4-methylphenyl)methylamino]-2-oxoethyl] 3-quinolin-2-ylpropanoate
PubChem CID29486260
Molecular FormulaC22H22N2O3
Molecular Weight362.43 g/mol
Exact Mass362.16
IUPAC Name[2-[(4-methylphenyl)methylamino]-2-oxoethyl] 3-quinolin-2-ylpropanoate
SMILESCc1ccc(CNC(=O)COC(=O)CCc2ccc3ccccc3n2)cc1
InChIInChI=1S/C22H22N2O3/c1-16-6-8-17(9-7-16)14-23-21(25)15-27-22(26)13-12-19-11-10-18-4-2-3-5-20(18)24-19/h2-11H,12-15H2,1H3,(H,23,25)
InChIKeyJRFJHEOPAAUUPK-UHFFFAOYSA-N
XLogP3.34
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[(3-chlorophenyl)methylamino]-2-oxoethyl] 3-quinolin-2-ylpropanoate
CID 55367733
[2-oxo-2-[(2-phenylacetyl)amino]ethyl] 3-quinolin-2-ylpropanoate
CID 29486304
[2-[(4-methylphenyl)methylamino]-2-oxoethyl] 4-(1,3-benzothiazol-2-yl)butanoate
CID 2433698
[2-oxo-2-(4-propylphenyl)ethyl] 3-quinolin-2-ylpropanoate
CID 55367871
[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-[(4-methylphenyl)methylamino]-2-oxoethyl] 3-(1H-indol-3-yl)propanoate
CID 2577795
diethyl 3-methyl-5-[[2-(3-quinolin-2-ylpropanoyloxy)acetyl]amino]thiophene-2,4-dicarboxylate
CID 29486238
(4-cyanophenyl)methyl 3-quinolin-2-ylpropanoate
CID 46811628
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 3-(4-methylphenyl)sulfanylpropanoate
CID 2583503
[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 3-quinolin-2-ylpropanoate
CID 29486495
[2-[(4-methylphenyl)methylamino]-2-oxoethyl] 4-(1H-indol-3-yl)butanoate
CID 2495066

Frequently Asked Questions

What is the IUPAC name of [2-[(4-methylphenyl)methylamino]-2-oxoethyl] 3-quinolin-2-ylpropanoate?
The IUPAC name of [2-[(4-methylphenyl)methylamino]-2-oxoethyl] 3-quinolin-2-ylpropanoate (CID 29486260) is [2-[(4-methylphenyl)methylamino]-2-oxoethyl] 3-quinolin-2-ylpropanoate.
What is the SMILES notation for [2-[(4-methylphenyl)methylamino]-2-oxoethyl] 3-quinolin-2-ylpropanoate?
The canonical SMILES for [2-[(4-methylphenyl)methylamino]-2-oxoethyl] 3-quinolin-2-ylpropanoate is Cc1ccc(CNC(=O)COC(=O)CCc2ccc3ccccc3n2)cc1.
What is the InChIKey of [2-[(4-methylphenyl)methylamino]-2-oxoethyl] 3-quinolin-2-ylpropanoate?
The InChIKey is JRFJHEOPAAUUPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O3/c1-16-6-8-17(9-7-16)14-23-21(25)15-27-22(26)13-12-19-11-10-18-4-2-3-5-20(18)24-19/h2-11H,12-15H2,1H3,(H,23,25).
What are the key properties of [2-[(4-methylphenyl)methylamino]-2-oxoethyl] 3-quinolin-2-ylpropanoate?
[2-[(4-methylphenyl)methylamino]-2-oxoethyl] 3-quinolin-2-ylpropanoate has a molecular weight of 362.43 g/mol, XLogP of 3.34, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-methylphenyl)methylamino]-2-oxoethyl] 3-quinolin-2-ylpropanoate is sourced from PubChem (CID 29486260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).