[2-[(3-chlorophenyl)methylamino]-2-oxoethyl] 3-quinolin-2-ylpropanoate

C21H19ClN2O3 — CID 55367733

IUPAC[2-[(3-chlorophenyl)methylamino]-2-oxoethyl] 3-quinolin-2-ylpropanoate
SMILESO=C(COC(=O)CCc1ccc2ccccc2n1)NCc1cccc(Cl)c1
InChIInChI=1S/C21H19ClN2O3/c22-17-6-3-4-15(12-17)13-23-20(25)14-27-21(26)11-10-18-9-8-16-5-1-2-7-19(16)24-18/h1-9,12H,10-11,13-14H2,(H,23,25)
InChIKeyKRUWSAHGHWQGAI-UHFFFAOYSA-N
MW382.85 g/mol
LogP3.68
Rot. Bonds7

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

[2-[(3-chlorophenyl)methylamino]-2-oxoethyl] 3-quinolin-2-ylpropanoate (PubChem CID 55367733) has the molecular formula C21H19ClN2O3 and a molecular weight of 382.85 g/mol. Its IUPAC name is [2-[(3-chlorophenyl)methylamino]-2-oxoethyl] 3-quinolin-2-ylpropanoate.

Molecular Properties

Compound Name[2-[(3-chlorophenyl)methylamino]-2-oxoethyl] 3-quinolin-2-ylpropanoate
PubChem CID55367733
Molecular FormulaC21H19ClN2O3
Molecular Weight382.85 g/mol
Exact Mass382.11
IUPAC Name[2-[(3-chlorophenyl)methylamino]-2-oxoethyl] 3-quinolin-2-ylpropanoate
SMILESO=C(COC(=O)CCc1ccc2ccccc2n1)NCc1cccc(Cl)c1
InChIInChI=1S/C21H19ClN2O3/c22-17-6-3-4-15(12-17)13-23-20(25)14-27-21(26)11-10-18-9-8-16-5-1-2-7-19(16)24-18/h1-9,12H,10-11,13-14H2,(H,23,25)
InChIKeyKRUWSAHGHWQGAI-UHFFFAOYSA-N
XLogP3.68
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.85
LogP ≤ 53.68
H-Bond Donors ≤ 51
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-[(3-chlorophenyl)methylamino]-2-oxoethyl] 2-naphthalen-1-ylquinoline-4-carboxylate
CID 23993753
[2-[(3-chlorophenyl)methylamino]-2-oxoethyl] 3-(3,4,5-trimethoxyphenyl)propanoate
CID 8019120
[2-[(3-chlorophenyl)methylamino]-2-oxoethyl] 1-benzofuran-2-carboxylate
CID 7193609
[2-[(3-chlorophenyl)methylamino]-2-oxoethyl] 2-chloroquinoline-6-carboxylate
CID 55998640
[2-oxo-2-[(1-phenylcyclopropyl)methylamino]ethyl] 3-quinolin-2-ylpropanoate
CID 55526039
[2-[(3-chlorophenyl)methylamino]-2-oxoethyl] 3-(2-methylphenoxy)propanoate
CID 55316485
[2-[(3-chlorophenyl)methylamino]-2-oxoethyl] benzoate
CID 7514858
[2-[(3-chlorophenyl)methylamino]-2-oxoethyl] 2-(2,4-dichlorophenyl)acetate
CID 7762959
[2-[(3-chlorophenyl)methylamino]-2-oxoethyl] 4-(5-chlorothiophen-2-yl)-4-oxobutanoate
CID 7238039
N-[(3-chlorophenyl)methyl]-2-methoxyacetamide
CID 60636717

Frequently Asked Questions

What is the IUPAC name of [2-[(3-chlorophenyl)methylamino]-2-oxoethyl] 3-quinolin-2-ylpropanoate?
The IUPAC name of [2-[(3-chlorophenyl)methylamino]-2-oxoethyl] 3-quinolin-2-ylpropanoate (CID 55367733) is [2-[(3-chlorophenyl)methylamino]-2-oxoethyl] 3-quinolin-2-ylpropanoate.
What is the SMILES notation for [2-[(3-chlorophenyl)methylamino]-2-oxoethyl] 3-quinolin-2-ylpropanoate?
The canonical SMILES for [2-[(3-chlorophenyl)methylamino]-2-oxoethyl] 3-quinolin-2-ylpropanoate is O=C(COC(=O)CCc1ccc2ccccc2n1)NCc1cccc(Cl)c1.
What is the InChIKey of [2-[(3-chlorophenyl)methylamino]-2-oxoethyl] 3-quinolin-2-ylpropanoate?
The InChIKey is KRUWSAHGHWQGAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN2O3/c22-17-6-3-4-15(12-17)13-23-20(25)14-27-21(26)11-10-18-9-8-16-5-1-2-7-19(16)24-18/h1-9,12H,10-11,13-14H2,(H,23,25).
What are the key properties of [2-[(3-chlorophenyl)methylamino]-2-oxoethyl] 3-quinolin-2-ylpropanoate?
[2-[(3-chlorophenyl)methylamino]-2-oxoethyl] 3-quinolin-2-ylpropanoate has a molecular weight of 382.85 g/mol, XLogP of 3.68, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3-chlorophenyl)methylamino]-2-oxoethyl] 3-quinolin-2-ylpropanoate is sourced from PubChem (CID 55367733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).