[2-[1-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 3-quinolin-2-ylpropanoate

C23H24N2O4 — CID 55367848

IUPAC[2-[1-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 3-quinolin-2-ylpropanoate
SMILESCOc1ccccc1C(C)NC(=O)COC(=O)CCc1ccc2ccccc2n1
InChIInChI=1S/C23H24N2O4/c1-16(19-8-4-6-10-21(19)28-2)24-22(26)15-29-23(27)14-13-18-12-11-17-7-3-5-9-20(17)25-18/h3-12,16H,13-15H2,1-2H3,(H,24,26)
InChIKeyZGLUVPZFHZFQEP-UHFFFAOYSA-N
MW392.46 g/mol
LogP3.60
Rot. Bonds8

About [2-[1-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 3-quinolin-2-ylpropanoate

[2-[1-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 3-quinolin-2-ylpropanoate (PubChem CID 55367848) has the molecular formula C23H24N2O4 and a molecular weight of 392.46 g/mol. Its IUPAC name is [2-[1-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 3-quinolin-2-ylpropanoate.

Molecular Properties

Compound Name[2-[1-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 3-quinolin-2-ylpropanoate
PubChem CID55367848
Molecular FormulaC23H24N2O4
Molecular Weight392.46 g/mol
Exact Mass392.17
IUPAC Name[2-[1-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 3-quinolin-2-ylpropanoate
SMILESCOc1ccccc1C(C)NC(=O)COC(=O)CCc1ccc2ccccc2n1
InChIInChI=1S/C23H24N2O4/c1-16(19-8-4-6-10-21(19)28-2)24-22(26)15-29-23(27)14-13-18-12-11-17-7-3-5-9-20(17)25-18/h3-12,16H,13-15H2,1-2H3,(H,24,26)
InChIKeyZGLUVPZFHZFQEP-UHFFFAOYSA-N
XLogP3.60
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[1-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 2-(2-methoxyphenoxy)acetate
CID 55366842
[2-[1-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 3-phenoxypropanoate
CID 55366862
[2-oxo-2-[(2-phenylacetyl)amino]ethyl] 3-quinolin-2-ylpropanoate
CID 29486304
[2-[(4-methylphenyl)methylamino]-2-oxoethyl] 3-quinolin-2-ylpropanoate
CID 29486260
[2-[1-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoate
CID 55509021
[2-[1-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 2-[(2-methoxybenzoyl)amino]acetate
CID 55365939
2-O-[2-[1-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 1-O-methyl benzene-1,2-dicarboxylate
CID 56504459
[2-oxo-2-[(1-phenylcyclopropyl)methylamino]ethyl] 3-quinolin-2-ylpropanoate
CID 55526039
2-ethoxy-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide
CID 81387481
[2-[(3-chlorophenyl)methylamino]-2-oxoethyl] 3-quinolin-2-ylpropanoate
CID 55367733
N-[1-(2-methoxyphenyl)ethyl]-3-naphthalen-1-ylpropanamide
CID 133184843
[2-[1-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 2-hydroxy-3-methoxybenzoate
CID 18192145

Frequently Asked Questions

What is the IUPAC name of [2-[1-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 3-quinolin-2-ylpropanoate?
The IUPAC name of [2-[1-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 3-quinolin-2-ylpropanoate (CID 55367848) is [2-[1-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 3-quinolin-2-ylpropanoate.
What is the SMILES notation for [2-[1-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 3-quinolin-2-ylpropanoate?
The canonical SMILES for [2-[1-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 3-quinolin-2-ylpropanoate is COc1ccccc1C(C)NC(=O)COC(=O)CCc1ccc2ccccc2n1.
What is the InChIKey of [2-[1-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 3-quinolin-2-ylpropanoate?
The InChIKey is ZGLUVPZFHZFQEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O4/c1-16(19-8-4-6-10-21(19)28-2)24-22(26)15-29-23(27)14-13-18-12-11-17-7-3-5-9-20(17)25-18/h3-12,16H,13-15H2,1-2H3,(H,24,26).
What are the key properties of [2-[1-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 3-quinolin-2-ylpropanoate?
[2-[1-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 3-quinolin-2-ylpropanoate has a molecular weight of 392.46 g/mol, XLogP of 3.60, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[1-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 3-quinolin-2-ylpropanoate is sourced from PubChem (CID 55367848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).