[2-(2-methoxyethylcarbamoylamino)-2-oxoethyl] 2-(4-chlorophenyl)quinoline-4-carboxylate

C22H20ClN3O5 — CID 2651071

IUPAC[2-(2-methoxyethylcarbamoylamino)-2-oxoethyl] 2-(4-chlorophenyl)quinoline-4-carboxylate
SMILESCOCCNC(=O)NC(=O)COC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12
InChIInChI=1S/C22H20ClN3O5/c1-30-11-10-24-22(29)26-20(27)13-31-21(28)17-12-19(14-6-8-15(23)9-7-14)25-18-5-3-2-4-16(17)18/h2-9,12H,10-11,13H2,1H3,(H2,24,26,27,29)
InChIKeyDTOZTQPJQLKEEJ-UHFFFAOYSA-N
MW441.87 g/mol
LogP3.18
Rot. Bonds7

About [2-(2-methoxyethylcarbamoylamino)-2-oxoethyl] 2-(4-chlorophenyl)quinoline-4-carboxylate

[2-(2-methoxyethylcarbamoylamino)-2-oxoethyl] 2-(4-chlorophenyl)quinoline-4-carboxylate (PubChem CID 2651071) has the molecular formula C22H20ClN3O5 and a molecular weight of 441.87 g/mol. Its IUPAC name is [2-(2-methoxyethylcarbamoylamino)-2-oxoethyl] 2-(4-chlorophenyl)quinoline-4-carboxylate.

Molecular Properties

Compound Name[2-(2-methoxyethylcarbamoylamino)-2-oxoethyl] 2-(4-chlorophenyl)quinoline-4-carboxylate
PubChem CID2651071
Molecular FormulaC22H20ClN3O5
Molecular Weight441.87 g/mol
Exact Mass441.11
IUPAC Name[2-(2-methoxyethylcarbamoylamino)-2-oxoethyl] 2-(4-chlorophenyl)quinoline-4-carboxylate
SMILESCOCCNC(=O)NC(=O)COC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12
InChIInChI=1S/C22H20ClN3O5/c1-30-11-10-24-22(29)26-20(27)13-31-21(28)17-12-19(14-6-8-15(23)9-7-14)25-18-5-3-2-4-16(17)18/h2-9,12H,10-11,13H2,1H3,(H2,24,26,27,29)
InChIKeyDTOZTQPJQLKEEJ-UHFFFAOYSA-N
XLogP3.18
TPSA106.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.87
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-(4-chlorophenyl)quinoline-4-carboxylate
CID 9081679
[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2-(6-methoxynaphthalen-2-yl)quinoline-4-carboxylate
CID 4658233
[2-(benzylamino)-2-oxoethyl] 2-(4-methoxyphenyl)quinoline-4-carboxylate
CID 2335668
2-(4-chlorophenyl)-N-[3-(2-methoxyethoxy)propyl]quinoline-4-carboxamide
CID 55407847
2-(4-chlorophenyl)-N-[2-[[2-(4-chlorophenyl)quinoline-4-carbonyl]amino]ethyl]quinoline-4-carboxamide
CID 5115230
[2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl] 2-(4-chlorophenyl)quinoline-4-carboxylate
CID 9081685
N-[2-(2-methoxyethylamino)-2-oxoethyl]-2-(4-methoxyphenyl)quinoline-4-carboxamide
CID 24542876
[2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 2-(4-fluorophenyl)quinoline-4-carboxylate
CID 35832298
[2-(methylamino)-2-oxoethyl] 2-[[2-(4-chlorophenyl)quinoline-4-carbonyl]amino]acetate
CID 8544012
[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2-(4-methoxyphenyl)quinoline-4-carboxylate
CID 2128183
[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl] 2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxylate
CID 35832021
[2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 2-phenylquinoline-4-carboxylate
CID 7866853

Frequently Asked Questions

What is the IUPAC name of [2-(2-methoxyethylcarbamoylamino)-2-oxoethyl] 2-(4-chlorophenyl)quinoline-4-carboxylate?
The IUPAC name of [2-(2-methoxyethylcarbamoylamino)-2-oxoethyl] 2-(4-chlorophenyl)quinoline-4-carboxylate (CID 2651071) is [2-(2-methoxyethylcarbamoylamino)-2-oxoethyl] 2-(4-chlorophenyl)quinoline-4-carboxylate.
What is the SMILES notation for [2-(2-methoxyethylcarbamoylamino)-2-oxoethyl] 2-(4-chlorophenyl)quinoline-4-carboxylate?
The canonical SMILES for [2-(2-methoxyethylcarbamoylamino)-2-oxoethyl] 2-(4-chlorophenyl)quinoline-4-carboxylate is COCCNC(=O)NC(=O)COC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12.
What is the InChIKey of [2-(2-methoxyethylcarbamoylamino)-2-oxoethyl] 2-(4-chlorophenyl)quinoline-4-carboxylate?
The InChIKey is DTOZTQPJQLKEEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClN3O5/c1-30-11-10-24-22(29)26-20(27)13-31-21(28)17-12-19(14-6-8-15(23)9-7-14)25-18-5-3-2-4-16(17)18/h2-9,12H,10-11,13H2,1H3,(H2,24,26,27,29).
What are the key properties of [2-(2-methoxyethylcarbamoylamino)-2-oxoethyl] 2-(4-chlorophenyl)quinoline-4-carboxylate?
[2-(2-methoxyethylcarbamoylamino)-2-oxoethyl] 2-(4-chlorophenyl)quinoline-4-carboxylate has a molecular weight of 441.87 g/mol, XLogP of 3.18, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methoxyethylcarbamoylamino)-2-oxoethyl] 2-(4-chlorophenyl)quinoline-4-carboxylate is sourced from PubChem (CID 2651071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).