N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(furan-2-ylmethyl)-3,4,5-trimethoxybenzamide

C27H28N2O7 — CID 1459170

About N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(furan-2-ylmethyl)-3,4,5-trimethoxybenzamide

N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(furan-2-ylmethyl)-3,4,5-trimethoxybenzamide (PubChem CID 1459170) has the molecular formula C27H28N2O7 and a molecular weight of 492.53 g/mol. Its IUPAC name is N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(furan-2-ylmethyl)-3,4,5-trimethoxybenzamide.

Molecular Properties

• Compound Name: N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(furan-2-ylmethyl)-3,4,5-trimethoxybenzamide
• PubChem CID: 1459170
• Molecular Formula: C27H28N2O7
• Molecular Weight: 492.53 g/mol
• Exact Mass: 492.19
• IUPAC Name: N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(furan-2-ylmethyl)-3,4,5-trimethoxybenzamide
• SMILES: CCOc1ccc2[nH]c(=O)c(CN(Cc3ccco3)C(=O)c3cc(OC)c(OC)c(OC)c3)cc2c1
• InChI: InChI=1S/C27H28N2O7/c1-5-35-20-8-9-22-17(12-20)11-19(26(30)28-22)15-29(16-21-7-6-10-36-21)27(31)18-13-23(32-2)25(34-4)24(14-18)33-3/h6-14H,5,15-16H2,1-4H3,(H,28,30)
• InChIKey: AZVOHTSLNBQNDS-UHFFFAOYSA-N
• XLogP: 4.39
• TPSA: 103.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	492.53
LogP ≤ 5	4.39
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(furan-2-ylmethyl)-3,4,5-trimethoxybenzamide?

The IUPAC name of N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(furan-2-ylmethyl)-3,4,5-trimethoxybenzamide (CID 1459170) is N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(furan-2-ylmethyl)-3,4,5-trimethoxybenzamide.

What is the SMILES notation for N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(furan-2-ylmethyl)-3,4,5-trimethoxybenzamide?

The canonical SMILES for N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(furan-2-ylmethyl)-3,4,5-trimethoxybenzamide is CCOc1ccc2[nH]c(=O)c(CN(Cc3ccco3)C(=O)c3cc(OC)c(OC)c(OC)c3)cc2c1.

What is the InChIKey of N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(furan-2-ylmethyl)-3,4,5-trimethoxybenzamide?

The InChIKey is AZVOHTSLNBQNDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N2O7/c1-5-35-20-8-9-22-17(12-20)11-19(26(30)28-22)15-29(16-21-7-6-10-36-21)27(31)18-13-23(32-2)25(34-4)24(14-18)33-3/h6-14H,5,15-16H2,1-4H3,(H,28,30).

What are the key properties of N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(furan-2-ylmethyl)-3,4,5-trimethoxybenzamide?

N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(furan-2-ylmethyl)-3,4,5-trimethoxybenzamide has a molecular weight of 492.53 g/mol, XLogP of 4.39, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(furan-2-ylmethyl)-3,4,5-trimethoxybenzamide is sourced from PubChem (CID 1459170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).