N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[(2-methoxyphenyl)methyl]furan-2-carboxamide

C25H24N2O4 — CID 3193973

About N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[(2-methoxyphenyl)methyl]furan-2-carboxamide

N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[(2-methoxyphenyl)methyl]furan-2-carboxamide (PubChem CID 3193973) has the molecular formula C25H24N2O4 and a molecular weight of 416.48 g/mol. Its IUPAC name is N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[(2-methoxyphenyl)methyl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[(2-methoxyphenyl)methyl]furan-2-carboxamide
• PubChem CID: 3193973
• Molecular Formula: C25H24N2O4
• Molecular Weight: 416.48 g/mol
• Exact Mass: 416.17
• IUPAC Name: N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[(2-methoxyphenyl)methyl]furan-2-carboxamide
• SMILES: COc1ccccc1CN(Cc1cc2ccc(C)c(C)c2[nH]c1=O)C(=O)c1ccco1
• InChI: InChI=1S/C25H24N2O4/c1-16-10-11-18-13-20(24(28)26-23(18)17(16)2)15-27(25(29)22-9-6-12-31-22)14-19-7-4-5-8-21(19)30-3/h4-13H,14-15H2,1-3H3,(H,26,28)
• InChIKey: FGVVRKVHGDWOQX-UHFFFAOYSA-N
• XLogP: 4.59
• TPSA: 75.54 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	416.48
LogP ≤ 5	4.59
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[(2-methoxyphenyl)methyl]furan-2-carboxamide?

The IUPAC name of N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[(2-methoxyphenyl)methyl]furan-2-carboxamide (CID 3193973) is N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[(2-methoxyphenyl)methyl]furan-2-carboxamide.

What is the SMILES notation for N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[(2-methoxyphenyl)methyl]furan-2-carboxamide?

The canonical SMILES for N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[(2-methoxyphenyl)methyl]furan-2-carboxamide is COc1ccccc1CN(Cc1cc2ccc(C)c(C)c2[nH]c1=O)C(=O)c1ccco1.

What is the InChIKey of N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[(2-methoxyphenyl)methyl]furan-2-carboxamide?

The InChIKey is FGVVRKVHGDWOQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O4/c1-16-10-11-18-13-20(24(28)26-23(18)17(16)2)15-27(25(29)22-9-6-12-31-22)14-19-7-4-5-8-21(19)30-3/h4-13H,14-15H2,1-3H3,(H,26,28).

What are the key properties of N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[(2-methoxyphenyl)methyl]furan-2-carboxamide?

N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[(2-methoxyphenyl)methyl]furan-2-carboxamide has a molecular weight of 416.48 g/mol, XLogP of 4.59, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[(2-methoxyphenyl)methyl]furan-2-carboxamide is sourced from PubChem (CID 3193973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).