[2-(2-methoxyethylamino)-2-oxoethyl] 2-(4-methoxyphenyl)quinoline-4-carboxylate

C22H22N2O5 — CID 4314187

IUPAC[2-(2-methoxyethylamino)-2-oxoethyl] 2-(4-methoxyphenyl)quinoline-4-carboxylate
SMILESCOCCNC(=O)COC(=O)c1cc(-c2ccc(OC)cc2)nc2ccccc12
InChIInChI=1S/C22H22N2O5/c1-27-12-11-23-21(25)14-29-22(26)18-13-20(15-7-9-16(28-2)10-8-15)24-19-6-4-3-5-17(18)19/h3-10,13H,11-12,14H2,1-2H3,(H,23,25)
InChIKeyWAYFPLOLSGWWKN-UHFFFAOYSA-N
MW394.43 g/mol
LogP2.83
Rot. Bonds8

About [2-(2-methoxyethylamino)-2-oxoethyl] 2-(4-methoxyphenyl)quinoline-4-carboxylate

[2-(2-methoxyethylamino)-2-oxoethyl] 2-(4-methoxyphenyl)quinoline-4-carboxylate (PubChem CID 4314187) has the molecular formula C22H22N2O5 and a molecular weight of 394.43 g/mol. Its IUPAC name is [2-(2-methoxyethylamino)-2-oxoethyl] 2-(4-methoxyphenyl)quinoline-4-carboxylate.

Molecular Properties

Compound Name[2-(2-methoxyethylamino)-2-oxoethyl] 2-(4-methoxyphenyl)quinoline-4-carboxylate
PubChem CID4314187
Molecular FormulaC22H22N2O5
Molecular Weight394.43 g/mol
Exact Mass394.15
IUPAC Name[2-(2-methoxyethylamino)-2-oxoethyl] 2-(4-methoxyphenyl)quinoline-4-carboxylate
SMILESCOCCNC(=O)COC(=O)c1cc(-c2ccc(OC)cc2)nc2ccccc12
InChIInChI=1S/C22H22N2O5/c1-27-12-11-23-21(25)14-29-22(26)18-13-20(15-7-9-16(28-2)10-8-15)24-19-6-4-3-5-17(18)19/h3-10,13H,11-12,14H2,1-2H3,(H,23,25)
InChIKeyWAYFPLOLSGWWKN-UHFFFAOYSA-N
XLogP2.83
TPSA86.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-(2-methoxyethylamino)-2-oxoethyl] 2-(4-methoxyphenyl)quinoline-4-carboxylate?
The IUPAC name of [2-(2-methoxyethylamino)-2-oxoethyl] 2-(4-methoxyphenyl)quinoline-4-carboxylate (CID 4314187) is [2-(2-methoxyethylamino)-2-oxoethyl] 2-(4-methoxyphenyl)quinoline-4-carboxylate.
What is the SMILES notation for [2-(2-methoxyethylamino)-2-oxoethyl] 2-(4-methoxyphenyl)quinoline-4-carboxylate?
The canonical SMILES for [2-(2-methoxyethylamino)-2-oxoethyl] 2-(4-methoxyphenyl)quinoline-4-carboxylate is COCCNC(=O)COC(=O)c1cc(-c2ccc(OC)cc2)nc2ccccc12.
What is the InChIKey of [2-(2-methoxyethylamino)-2-oxoethyl] 2-(4-methoxyphenyl)quinoline-4-carboxylate?
The InChIKey is WAYFPLOLSGWWKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O5/c1-27-12-11-23-21(25)14-29-22(26)18-13-20(15-7-9-16(28-2)10-8-15)24-19-6-4-3-5-17(18)19/h3-10,13H,11-12,14H2,1-2H3,(H,23,25).
What are the key properties of [2-(2-methoxyethylamino)-2-oxoethyl] 2-(4-methoxyphenyl)quinoline-4-carboxylate?
[2-(2-methoxyethylamino)-2-oxoethyl] 2-(4-methoxyphenyl)quinoline-4-carboxylate has a molecular weight of 394.43 g/mol, XLogP of 2.83, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methoxyethylamino)-2-oxoethyl] 2-(4-methoxyphenyl)quinoline-4-carboxylate is sourced from PubChem (CID 4314187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).