N-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3,4-dimethoxy-N-[(2-methoxyphenyl)methyl]benzamide

C29H30N2O5 — CID 23997269

About N-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3,4-dimethoxy-N-[(2-methoxyphenyl)methyl]benzamide

N-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3,4-dimethoxy-N-[(2-methoxyphenyl)methyl]benzamide (PubChem CID 23997269) has the molecular formula C29H30N2O5 and a molecular weight of 486.57 g/mol. Its IUPAC name is N-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3,4-dimethoxy-N-[(2-methoxyphenyl)methyl]benzamide.

Molecular Properties

• Compound Name: N-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3,4-dimethoxy-N-[(2-methoxyphenyl)methyl]benzamide
• PubChem CID: 23997269
• Molecular Formula: C29H30N2O5
• Molecular Weight: 486.57 g/mol
• Exact Mass: 486.22
• IUPAC Name: N-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3,4-dimethoxy-N-[(2-methoxyphenyl)methyl]benzamide
• SMILES: COc1ccccc1CN(Cc1cc2c(C)ccc(C)c2[nH]c1=O)C(=O)c1ccc(OC)c(OC)c1
• InChI: InChI=1S/C29H30N2O5/c1-18-10-11-19(2)27-23(18)14-22(28(32)30-27)17-31(16-21-8-6-7-9-24(21)34-3)29(33)20-12-13-25(35-4)26(15-20)36-5/h6-15H,16-17H2,1-5H3,(H,30,32)
• InChIKey: COZNTENZTIFLAU-UHFFFAOYSA-N
• XLogP: 5.01
• TPSA: 80.86 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	486.57
LogP ≤ 5	5.01
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3,4-dimethoxy-N-[(2-methoxyphenyl)methyl]benzamide?

The IUPAC name of N-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3,4-dimethoxy-N-[(2-methoxyphenyl)methyl]benzamide (CID 23997269) is N-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3,4-dimethoxy-N-[(2-methoxyphenyl)methyl]benzamide.

What is the SMILES notation for N-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3,4-dimethoxy-N-[(2-methoxyphenyl)methyl]benzamide?

The canonical SMILES for N-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3,4-dimethoxy-N-[(2-methoxyphenyl)methyl]benzamide is COc1ccccc1CN(Cc1cc2c(C)ccc(C)c2[nH]c1=O)C(=O)c1ccc(OC)c(OC)c1.

What is the InChIKey of N-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3,4-dimethoxy-N-[(2-methoxyphenyl)methyl]benzamide?

The InChIKey is COZNTENZTIFLAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N2O5/c1-18-10-11-19(2)27-23(18)14-22(28(32)30-27)17-31(16-21-8-6-7-9-24(21)34-3)29(33)20-12-13-25(35-4)26(15-20)36-5/h6-15H,16-17H2,1-5H3,(H,30,32).

What are the key properties of N-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3,4-dimethoxy-N-[(2-methoxyphenyl)methyl]benzamide?

N-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3,4-dimethoxy-N-[(2-methoxyphenyl)methyl]benzamide has a molecular weight of 486.57 g/mol, XLogP of 5.01, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3,4-dimethoxy-N-[(2-methoxyphenyl)methyl]benzamide is sourced from PubChem (CID 23997269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).