Ethyl 4-[(7-hydroxy-6-methoxyquinolin-2-yl)amino]benzoate

C₁₉H₁₈N₂O₄ — CID 164899920

About Ethyl 4-[(7-hydroxy-6-methoxyquinolin-2-yl)amino]benzoate

Ethyl 4-[(7-hydroxy-6-methoxyquinolin-2-yl)amino]benzoate (PubChem CID 164899920) has the molecular formula C₁₉H₁₈N₂O₄ and a molecular weight of 338.36 g/mol. Its IUPAC name is ethyl 4-[(7-hydroxy-6-methoxyquinolin-2-yl)amino]benzoate.

Molecular Properties

• Compound Name: Ethyl 4-[(7-hydroxy-6-methoxyquinolin-2-yl)amino]benzoate
• PubChem CID: 164899920
• Molecular Formula: C₁₉H₁₈N₂O₄
• Molecular Weight: 338.36 g/mol
• Exact Mass: 338.13
• IUPAC Name: ethyl 4-[(7-hydroxy-6-methoxyquinolin-2-yl)amino]benzoate
• SMILES: CCOC(=O)c1ccc(Nc2ccc3cc(OC)c(O)cc3n2)cc1
• InChI: InChI=1S/C19H18N2O4/c1-3-25-19(23)12-4-7-14(8-5-12)20-18-9-6-13-10-17(24-2)16(22)11-15(13)21-18/h4-11,22H,3H2,1-2H3,(H,20,21)
• InChIKey: VMVYEYMOEWYGDK-UHFFFAOYSA-N
• XLogP: 3.87
• TPSA: 80.68 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	338.36
LogP ≤ 5	3.87
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of Ethyl 4-[(7-hydroxy-6-methoxyquinolin-2-yl)amino]benzoate?

The IUPAC name of Ethyl 4-[(7-hydroxy-6-methoxyquinolin-2-yl)amino]benzoate (CID 164899920) is ethyl 4-[(7-hydroxy-6-methoxyquinolin-2-yl)amino]benzoate.

What is the SMILES notation for Ethyl 4-[(7-hydroxy-6-methoxyquinolin-2-yl)amino]benzoate?

The canonical SMILES for Ethyl 4-[(7-hydroxy-6-methoxyquinolin-2-yl)amino]benzoate is CCOC(=O)c1ccc(Nc2ccc3cc(OC)c(O)cc3n2)cc1.

What is the InChIKey of Ethyl 4-[(7-hydroxy-6-methoxyquinolin-2-yl)amino]benzoate?

The InChIKey is VMVYEYMOEWYGDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4/c1-3-25-19(23)12-4-7-14(8-5-12)20-18-9-6-13-10-17(24-2)16(22)11-15(13)21-18/h4-11,22H,3H2,1-2H3,(H,20,21).

What are the key properties of Ethyl 4-[(7-hydroxy-6-methoxyquinolin-2-yl)amino]benzoate?

Ethyl 4-[(7-hydroxy-6-methoxyquinolin-2-yl)amino]benzoate has a molecular weight of 338.36 g/mol, XLogP of 3.87, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for Ethyl 4-[(7-hydroxy-6-methoxyquinolin-2-yl)amino]benzoate is sourced from PubChem (CID 164899920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 164899920 — identifiers, structure, computed properties (public domain)

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