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

C29H30N2O6 — CID 1427667

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

N-(2,4-dimethylphenyl)-3,4,5-trimethoxy-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]benzamide (PubChem CID 1427667) has the molecular formula C29H30N2O6 and a molecular weight of 502.57 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-3,4,5-trimethoxy-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]benzamide.

Molecular Properties

• Compound Name: N-(2,4-dimethylphenyl)-3,4,5-trimethoxy-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]benzamide
• PubChem CID: 1427667
• Molecular Formula: C29H30N2O6
• Molecular Weight: 502.57 g/mol
• Exact Mass: 502.21
• IUPAC Name: N-(2,4-dimethylphenyl)-3,4,5-trimethoxy-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]benzamide
• SMILES: COc1ccc2cc(CN(C(=O)c3cc(OC)c(OC)c(OC)c3)c3ccc(C)cc3C)c(=O)[nH]c2c1
• InChI: InChI=1S/C29H30N2O6/c1-17-7-10-24(18(2)11-17)31(29(33)20-13-25(35-4)27(37-6)26(14-20)36-5)16-21-12-19-8-9-22(34-3)15-23(19)30-28(21)32/h7-15H,16H2,1-6H3,(H,30,32)
• InChIKey: OSHOJBLOSYTINJ-UHFFFAOYSA-N
• XLogP: 5.03
• TPSA: 90.09 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	502.57
LogP ≤ 5	5.03
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-(2,4-dimethylphenyl)-3,4,5-trimethoxy-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]benzamide (CID 1427667) is N-(2,4-dimethylphenyl)-3,4,5-trimethoxy-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]benzamide.

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

The canonical SMILES for N-(2,4-dimethylphenyl)-3,4,5-trimethoxy-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]benzamide is COc1ccc2cc(CN(C(=O)c3cc(OC)c(OC)c(OC)c3)c3ccc(C)cc3C)c(=O)[nH]c2c1.

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

The InChIKey is OSHOJBLOSYTINJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N2O6/c1-17-7-10-24(18(2)11-17)31(29(33)20-13-25(35-4)27(37-6)26(14-20)36-5)16-21-12-19-8-9-22(34-3)15-23(19)30-28(21)32/h7-15H,16H2,1-6H3,(H,30,32).

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

N-(2,4-dimethylphenyl)-3,4,5-trimethoxy-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]benzamide has a molecular weight of 502.57 g/mol, XLogP of 5.03, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2,4-dimethylphenyl)-3,4,5-trimethoxy-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]benzamide is sourced from PubChem (CID 1427667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).