[2-oxo-2-(4-propylphenyl)ethyl] 3-quinolin-2-ylpropanoate

C23H23NO3 — CID 55367871

IUPAC[2-oxo-2-(4-propylphenyl)ethyl] 3-quinolin-2-ylpropanoate
SMILESCCCc1ccc(C(=O)COC(=O)CCc2ccc3ccccc3n2)cc1
InChIInChI=1S/C23H23NO3/c1-2-5-17-8-10-19(11-9-17)22(25)16-27-23(26)15-14-20-13-12-18-6-3-4-7-21(18)24-20/h3-4,6-13H,2,5,14-16H2,1H3
InChIKeyVSYSDFIIZSJMBT-UHFFFAOYSA-N
MW361.44 g/mol
LogP4.55
Rot. Bonds8

About [2-oxo-2-(4-propylphenyl)ethyl] 3-quinolin-2-ylpropanoate

[2-oxo-2-(4-propylphenyl)ethyl] 3-quinolin-2-ylpropanoate (PubChem CID 55367871) has the molecular formula C23H23NO3 and a molecular weight of 361.44 g/mol. Its IUPAC name is [2-oxo-2-(4-propylphenyl)ethyl] 3-quinolin-2-ylpropanoate.

Molecular Properties

Compound Name[2-oxo-2-(4-propylphenyl)ethyl] 3-quinolin-2-ylpropanoate
PubChem CID55367871
Molecular FormulaC23H23NO3
Molecular Weight361.44 g/mol
Exact Mass361.17
IUPAC Name[2-oxo-2-(4-propylphenyl)ethyl] 3-quinolin-2-ylpropanoate
SMILESCCCc1ccc(C(=O)COC(=O)CCc2ccc3ccccc3n2)cc1
InChIInChI=1S/C23H23NO3/c1-2-5-17-8-10-19(11-9-17)22(25)16-27-23(26)15-14-20-13-12-18-6-3-4-7-21(18)24-20/h3-4,6-13H,2,5,14-16H2,1H3
InChIKeyVSYSDFIIZSJMBT-UHFFFAOYSA-N
XLogP4.55
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[(4-methylphenyl)methylamino]-2-oxoethyl] 3-quinolin-2-ylpropanoate
CID 29486260
[2-oxo-2-[(2-phenylacetyl)amino]ethyl] 3-quinolin-2-ylpropanoate
CID 29486304
[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 3-quinolin-2-ylpropanoate
CID 29486150
(4-cyanophenyl)methyl 3-quinolin-2-ylpropanoate
CID 46811628
[2-oxo-2-(4-propylphenyl)ethyl] 1-benzofuran-2-carboxylate
CID 7210520
1-methoxy-4-quinolin-2-ylbutan-2-one
CID 79417247
1-[4-(aminomethyl)phenyl]-2-quinolin-2-ylethanone
CID 116548351
1,3-benzothiazol-2-ylmethyl 3-quinolin-2-ylpropanoate
CID 29486192
[2-oxo-2-(4-propylphenyl)ethyl] 2-benzamidoacetate
CID 7783022
[2-[(3-chlorophenyl)methylamino]-2-oxoethyl] 3-quinolin-2-ylpropanoate
CID 55367733
[2-oxo-2-(4-propylphenyl)ethyl] 2-(4-benzoylphenoxy)acetate
CID 7839590
[2-[1-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 3-quinolin-2-ylpropanoate
CID 55367848

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(4-propylphenyl)ethyl] 3-quinolin-2-ylpropanoate?
The IUPAC name of [2-oxo-2-(4-propylphenyl)ethyl] 3-quinolin-2-ylpropanoate (CID 55367871) is [2-oxo-2-(4-propylphenyl)ethyl] 3-quinolin-2-ylpropanoate.
What is the SMILES notation for [2-oxo-2-(4-propylphenyl)ethyl] 3-quinolin-2-ylpropanoate?
The canonical SMILES for [2-oxo-2-(4-propylphenyl)ethyl] 3-quinolin-2-ylpropanoate is CCCc1ccc(C(=O)COC(=O)CCc2ccc3ccccc3n2)cc1.
What is the InChIKey of [2-oxo-2-(4-propylphenyl)ethyl] 3-quinolin-2-ylpropanoate?
The InChIKey is VSYSDFIIZSJMBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO3/c1-2-5-17-8-10-19(11-9-17)22(25)16-27-23(26)15-14-20-13-12-18-6-3-4-7-21(18)24-20/h3-4,6-13H,2,5,14-16H2,1H3.
What are the key properties of [2-oxo-2-(4-propylphenyl)ethyl] 3-quinolin-2-ylpropanoate?
[2-oxo-2-(4-propylphenyl)ethyl] 3-quinolin-2-ylpropanoate has a molecular weight of 361.44 g/mol, XLogP of 4.55, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(4-propylphenyl)ethyl] 3-quinolin-2-ylpropanoate is sourced from PubChem (CID 55367871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).