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

C28H28N2O3 — CID 3193974

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

N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[(2-methoxyphenyl)methyl]-2-methylbenzamide (PubChem CID 3193974) has the molecular formula C28H28N2O3 and a molecular weight of 440.54 g/mol. Its IUPAC name is N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[(2-methoxyphenyl)methyl]-2-methylbenzamide.

Molecular Properties

• Compound Name: N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[(2-methoxyphenyl)methyl]-2-methylbenzamide
• PubChem CID: 3193974
• Molecular Formula: C28H28N2O3
• Molecular Weight: 440.54 g/mol
• Exact Mass: 440.21
• IUPAC Name: N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[(2-methoxyphenyl)methyl]-2-methylbenzamide
• SMILES: COc1ccccc1CN(Cc1cc2ccc(C)c(C)c2[nH]c1=O)C(=O)c1ccccc1C
• InChI: InChI=1S/C28H28N2O3/c1-18-13-14-21-15-23(27(31)29-26(21)20(18)3)17-30(16-22-10-6-8-12-25(22)33-4)28(32)24-11-7-5-9-19(24)2/h5-15H,16-17H2,1-4H3,(H,29,31)
• InChIKey: GETIHJXUYDPDQS-UHFFFAOYSA-N
• XLogP: 5.30
• TPSA: 62.40 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	440.54
LogP ≤ 5	5.30
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[(2-methoxyphenyl)methyl]-2-methylbenzamide (CID 3193974) is N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[(2-methoxyphenyl)methyl]-2-methylbenzamide.

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

The canonical SMILES for N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[(2-methoxyphenyl)methyl]-2-methylbenzamide is COc1ccccc1CN(Cc1cc2ccc(C)c(C)c2[nH]c1=O)C(=O)c1ccccc1C.

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

The InChIKey is GETIHJXUYDPDQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N2O3/c1-18-13-14-21-15-23(27(31)29-26(21)20(18)3)17-30(16-22-10-6-8-12-25(22)33-4)28(32)24-11-7-5-9-19(24)2/h5-15H,16-17H2,1-4H3,(H,29,31).

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

N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[(2-methoxyphenyl)methyl]-2-methylbenzamide has a molecular weight of 440.54 g/mol, XLogP of 5.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 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]-2-methylbenzamide is sourced from PubChem (CID 3193974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).