[2-(3-methoxyanilino)-2-oxoethyl] 2-methylquinoline-4-carboxylate

C₂₀H₁₈N₂O₄ — CID 2484557

About [2-(3-methoxyanilino)-2-oxoethyl] 2-methylquinoline-4-carboxylate

[2-(3-methoxyanilino)-2-oxoethyl] 2-methylquinoline-4-carboxylate (PubChem CID 2484557) has the molecular formula C₂₀H₁₈N₂O₄ and a molecular weight of 350.37 g/mol. Its IUPAC name is [2-(3-methoxyanilino)-2-oxoethyl] 2-methylquinoline-4-carboxylate.

Molecular Properties

• Compound Name: [2-(3-methoxyanilino)-2-oxoethyl] 2-methylquinoline-4-carboxylate
• PubChem CID: 2484557
• Molecular Formula: C₂₀H₁₈N₂O₄
• Molecular Weight: 350.37 g/mol
• Exact Mass: 350.13
• IUPAC Name: [2-(3-methoxyanilino)-2-oxoethyl] 2-methylquinoline-4-carboxylate
• SMILES: COc1cccc(NC(=O)COC(=O)c2cc(C)nc3ccccc23)c1
• InChI: InChI=1S/C20H18N2O4/c1-13-10-17(16-8-3-4-9-18(16)21-13)20(24)26-12-19(23)22-14-6-5-7-15(11-14)25-2/h3-11H,12H2,1-2H3,(H,22,23)
• InChIKey: JOEPDZQAEANIKN-UHFFFAOYSA-N
• XLogP: 3.35
• TPSA: 77.52 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	350.37
LogP ≤ 5	3.35
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of [2-(3-methoxyanilino)-2-oxoethyl] 2-methylquinoline-4-carboxylate?

The IUPAC name of [2-(3-methoxyanilino)-2-oxoethyl] 2-methylquinoline-4-carboxylate (CID 2484557) is [2-(3-methoxyanilino)-2-oxoethyl] 2-methylquinoline-4-carboxylate.

What is the SMILES notation for [2-(3-methoxyanilino)-2-oxoethyl] 2-methylquinoline-4-carboxylate?

The canonical SMILES for [2-(3-methoxyanilino)-2-oxoethyl] 2-methylquinoline-4-carboxylate is COc1cccc(NC(=O)COC(=O)c2cc(C)nc3ccccc23)c1.

What is the InChIKey of [2-(3-methoxyanilino)-2-oxoethyl] 2-methylquinoline-4-carboxylate?

The InChIKey is JOEPDZQAEANIKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O4/c1-13-10-17(16-8-3-4-9-18(16)21-13)20(24)26-12-19(23)22-14-6-5-7-15(11-14)25-2/h3-11H,12H2,1-2H3,(H,22,23).

What are the key properties of [2-(3-methoxyanilino)-2-oxoethyl] 2-methylquinoline-4-carboxylate?

[2-(3-methoxyanilino)-2-oxoethyl] 2-methylquinoline-4-carboxylate has a molecular weight of 350.37 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [2-(3-methoxyanilino)-2-oxoethyl] 2-methylquinoline-4-carboxylate is sourced from PubChem (CID 2484557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 2484557 — identifiers, structure, computed properties (public domain)

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