3,4,5-triethoxy-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(4-methylphenyl)benzamide

C31H34N2O6 — CID 1391983

About 3,4,5-triethoxy-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(4-methylphenyl)benzamide

3,4,5-triethoxy-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(4-methylphenyl)benzamide (PubChem CID 1391983) has the molecular formula C31H34N2O6 and a molecular weight of 530.62 g/mol. Its IUPAC name is 3,4,5-triethoxy-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(4-methylphenyl)benzamide.

Molecular Properties

• Compound Name: 3,4,5-triethoxy-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(4-methylphenyl)benzamide
• PubChem CID: 1391983
• Molecular Formula: C31H34N2O6
• Molecular Weight: 530.62 g/mol
• Exact Mass: 530.24
• IUPAC Name: 3,4,5-triethoxy-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(4-methylphenyl)benzamide
• SMILES: CCOc1cc(C(=O)N(Cc2cc3cc(OC)ccc3[nH]c2=O)c2ccc(C)cc2)cc(OCC)c1OCC
• InChI: InChI=1S/C31H34N2O6/c1-6-37-27-17-22(18-28(38-7-2)29(27)39-8-3)31(35)33(24-11-9-20(4)10-12-24)19-23-15-21-16-25(36-5)13-14-26(21)32-30(23)34/h9-18H,6-8,19H2,1-5H3,(H,32,34)
• InChIKey: UMJNODFTCUUZGU-UHFFFAOYSA-N
• XLogP: 5.89
• TPSA: 90.09 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 11
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	530.62
LogP ≤ 5	5.89
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3,4,5-triethoxy-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(4-methylphenyl)benzamide?

The IUPAC name of 3,4,5-triethoxy-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(4-methylphenyl)benzamide (CID 1391983) is 3,4,5-triethoxy-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(4-methylphenyl)benzamide.

What is the SMILES notation for 3,4,5-triethoxy-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(4-methylphenyl)benzamide?

The canonical SMILES for 3,4,5-triethoxy-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(4-methylphenyl)benzamide is CCOc1cc(C(=O)N(Cc2cc3cc(OC)ccc3[nH]c2=O)c2ccc(C)cc2)cc(OCC)c1OCC.

What is the InChIKey of 3,4,5-triethoxy-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(4-methylphenyl)benzamide?

The InChIKey is UMJNODFTCUUZGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H34N2O6/c1-6-37-27-17-22(18-28(38-7-2)29(27)39-8-3)31(35)33(24-11-9-20(4)10-12-24)19-23-15-21-16-25(36-5)13-14-26(21)32-30(23)34/h9-18H,6-8,19H2,1-5H3,(H,32,34).

What are the key properties of 3,4,5-triethoxy-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(4-methylphenyl)benzamide?

3,4,5-triethoxy-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(4-methylphenyl)benzamide has a molecular weight of 530.62 g/mol, XLogP of 5.89, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3,4,5-triethoxy-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(4-methylphenyl)benzamide is sourced from PubChem (CID 1391983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).