N-tert-butyl-3,4,5-triethoxy-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]benzamide

C28H36N2O6 — CID 1421821

About N-tert-butyl-3,4,5-triethoxy-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]benzamide

N-tert-butyl-3,4,5-triethoxy-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]benzamide (PubChem CID 1421821) has the molecular formula C28H36N2O6 and a molecular weight of 496.60 g/mol. Its IUPAC name is N-tert-butyl-3,4,5-triethoxy-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]benzamide.

Molecular Properties

• Compound Name: N-tert-butyl-3,4,5-triethoxy-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]benzamide
• PubChem CID: 1421821
• Molecular Formula: C28H36N2O6
• Molecular Weight: 496.60 g/mol
• Exact Mass: 496.26
• IUPAC Name: N-tert-butyl-3,4,5-triethoxy-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]benzamide
• SMILES: CCOc1cc(C(=O)N(Cc2cc3ccc(OC)cc3[nH]c2=O)C(C)(C)C)cc(OCC)c1OCC
• InChI: InChI=1S/C28H36N2O6/c1-8-34-23-14-19(15-24(35-9-2)25(23)36-10-3)27(32)30(28(4,5)6)17-20-13-18-11-12-21(33-7)16-22(18)29-26(20)31/h11-16H,8-10,17H2,1-7H3,(H,29,31)
• InChIKey: WUTWJWJHNXNICB-UHFFFAOYSA-N
• XLogP: 5.17
• TPSA: 90.09 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	496.60
LogP ≤ 5	5.17
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-tert-butyl-3,4,5-triethoxy-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]benzamide (CID 1421821) is N-tert-butyl-3,4,5-triethoxy-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]benzamide.

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

The canonical SMILES for N-tert-butyl-3,4,5-triethoxy-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]benzamide is CCOc1cc(C(=O)N(Cc2cc3ccc(OC)cc3[nH]c2=O)C(C)(C)C)cc(OCC)c1OCC.

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

The InChIKey is WUTWJWJHNXNICB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36N2O6/c1-8-34-23-14-19(15-24(35-9-2)25(23)36-10-3)27(32)30(28(4,5)6)17-20-13-18-11-12-21(33-7)16-22(18)29-26(20)31/h11-16H,8-10,17H2,1-7H3,(H,29,31).

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

N-tert-butyl-3,4,5-triethoxy-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]benzamide has a molecular weight of 496.60 g/mol, XLogP of 5.17, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-tert-butyl-3,4,5-triethoxy-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]benzamide is sourced from PubChem (CID 1421821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).