N-(1,3-benzodioxol-5-ylmethyl)-N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-2-methylpropanamide

C24H26N2O4 — CID 68901704

About N-(1,3-benzodioxol-5-ylmethyl)-N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-2-methylpropanamide

N-(1,3-benzodioxol-5-ylmethyl)-N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-2-methylpropanamide (PubChem CID 68901704) has the molecular formula C24H26N2O4 and a molecular weight of 406.48 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-2-methylpropanamide.

Molecular Properties

• Compound Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-2-methylpropanamide
• PubChem CID: 68901704
• Molecular Formula: C24H26N2O4
• Molecular Weight: 406.48 g/mol
• Exact Mass: 406.19
• IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-2-methylpropanamide
• SMILES: Cc1cc(C)c2[nH]c(=O)c(CN(Cc3ccc4c(c3)OCO4)C(=O)C(C)C)cc2c1
• InChI: InChI=1S/C24H26N2O4/c1-14(2)24(28)26(11-17-5-6-20-21(9-17)30-13-29-20)12-19-10-18-8-15(3)7-16(4)22(18)25-23(19)27/h5-10,14H,11-13H2,1-4H3,(H,25,27)
• InChIKey: OOVOYAKYJDBTME-UHFFFAOYSA-N
• XLogP: 4.06
• TPSA: 71.63 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	406.48
LogP ≤ 5	4.06
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-2-methylpropanamide?

The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-2-methylpropanamide (CID 68901704) is N-(1,3-benzodioxol-5-ylmethyl)-N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-2-methylpropanamide.

What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-2-methylpropanamide?

The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-2-methylpropanamide is Cc1cc(C)c2[nH]c(=O)c(CN(Cc3ccc4c(c3)OCO4)C(=O)C(C)C)cc2c1.

What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-2-methylpropanamide?

The InChIKey is OOVOYAKYJDBTME-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O4/c1-14(2)24(28)26(11-17-5-6-20-21(9-17)30-13-29-20)12-19-10-18-8-15(3)7-16(4)22(18)25-23(19)27/h5-10,14H,11-13H2,1-4H3,(H,25,27).

What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-2-methylpropanamide?

N-(1,3-benzodioxol-5-ylmethyl)-N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-2-methylpropanamide has a molecular weight of 406.48 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1,3-benzodioxol-5-ylmethyl)-N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-2-methylpropanamide is sourced from PubChem (CID 68901704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).