3,4,5-trimethoxy-N-(4-methoxyphenyl)-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide

C28H28N2O6 — CID 1426956

About 3,4,5-trimethoxy-N-(4-methoxyphenyl)-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide

3,4,5-trimethoxy-N-(4-methoxyphenyl)-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide (PubChem CID 1426956) has the molecular formula C28H28N2O6 and a molecular weight of 488.54 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N-(4-methoxyphenyl)-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide.

Molecular Properties

• Compound Name: 3,4,5-trimethoxy-N-(4-methoxyphenyl)-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide
• PubChem CID: 1426956
• Molecular Formula: C28H28N2O6
• Molecular Weight: 488.54 g/mol
• Exact Mass: 488.19
• IUPAC Name: 3,4,5-trimethoxy-N-(4-methoxyphenyl)-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide
• SMILES: COc1ccc(N(Cc2cc3ccc(C)cc3[nH]c2=O)C(=O)c2cc(OC)c(OC)c(OC)c2)cc1
• InChI: InChI=1S/C28H28N2O6/c1-17-6-7-18-13-20(27(31)29-23(18)12-17)16-30(21-8-10-22(33-2)11-9-21)28(32)19-14-24(34-3)26(36-5)25(15-19)35-4/h6-15H,16H2,1-5H3,(H,29,31)
• InChIKey: QSKDPZVPWKYHCQ-UHFFFAOYSA-N
• XLogP: 4.72
• TPSA: 90.09 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	488.54
LogP ≤ 5	4.72
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-N-(4-methoxyphenyl)-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide?

The IUPAC name of 3,4,5-trimethoxy-N-(4-methoxyphenyl)-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide (CID 1426956) is 3,4,5-trimethoxy-N-(4-methoxyphenyl)-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide.

What is the SMILES notation for 3,4,5-trimethoxy-N-(4-methoxyphenyl)-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide?

The canonical SMILES for 3,4,5-trimethoxy-N-(4-methoxyphenyl)-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide is COc1ccc(N(Cc2cc3ccc(C)cc3[nH]c2=O)C(=O)c2cc(OC)c(OC)c(OC)c2)cc1.

What is the InChIKey of 3,4,5-trimethoxy-N-(4-methoxyphenyl)-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide?

The InChIKey is QSKDPZVPWKYHCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N2O6/c1-17-6-7-18-13-20(27(31)29-23(18)12-17)16-30(21-8-10-22(33-2)11-9-21)28(32)19-14-24(34-3)26(36-5)25(15-19)35-4/h6-15H,16H2,1-5H3,(H,29,31).

What are the key properties of 3,4,5-trimethoxy-N-(4-methoxyphenyl)-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide?

3,4,5-trimethoxy-N-(4-methoxyphenyl)-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide has a molecular weight of 488.54 g/mol, XLogP of 4.72, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3,4,5-trimethoxy-N-(4-methoxyphenyl)-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide is sourced from PubChem (CID 1426956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).