3,4-dimethoxy-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)benzamide

C25H28N2O5 — CID 3151701

About 3,4-dimethoxy-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)benzamide

3,4-dimethoxy-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)benzamide (PubChem CID 3151701) has the molecular formula C25H28N2O5 and a molecular weight of 436.51 g/mol. Its IUPAC name is 3,4-dimethoxy-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)benzamide.

Molecular Properties

• Compound Name: 3,4-dimethoxy-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)benzamide
• PubChem CID: 3151701
• Molecular Formula: C25H28N2O5
• Molecular Weight: 436.51 g/mol
• Exact Mass: 436.20
• IUPAC Name: 3,4-dimethoxy-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)benzamide
• SMILES: COc1ccc(C(=O)N(Cc2cc3ccc(C)cc3[nH]c2=O)CC2CCCO2)cc1OC
• InChI: InChI=1S/C25H28N2O5/c1-16-6-7-17-12-19(24(28)26-21(17)11-16)14-27(15-20-5-4-10-32-20)25(29)18-8-9-22(30-2)23(13-18)31-3/h6-9,11-13,20H,4-5,10,14-15H2,1-3H3,(H,26,28)
• InChIKey: RNWCUOABXSZSSO-UHFFFAOYSA-N
• XLogP: 3.68
• TPSA: 80.86 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	436.51
LogP ≤ 5	3.68
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)benzamide?

The IUPAC name of 3,4-dimethoxy-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)benzamide (CID 3151701) is 3,4-dimethoxy-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)benzamide.

What is the SMILES notation for 3,4-dimethoxy-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)benzamide?

The canonical SMILES for 3,4-dimethoxy-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)benzamide is COc1ccc(C(=O)N(Cc2cc3ccc(C)cc3[nH]c2=O)CC2CCCO2)cc1OC.

What is the InChIKey of 3,4-dimethoxy-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)benzamide?

The InChIKey is RNWCUOABXSZSSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O5/c1-16-6-7-17-12-19(24(28)26-21(17)11-16)14-27(15-20-5-4-10-32-20)25(29)18-8-9-22(30-2)23(13-18)31-3/h6-9,11-13,20H,4-5,10,14-15H2,1-3H3,(H,26,28).

What are the key properties of 3,4-dimethoxy-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)benzamide?

3,4-dimethoxy-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)benzamide has a molecular weight of 436.51 g/mol, XLogP of 3.68, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3,4-dimethoxy-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)benzamide is sourced from PubChem (CID 3151701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).