N-[[4-[[2-butyl-4-(2,2-dimethylpropyl)imidazo[4,5-c]quinolin-1-yl]methyl]phenyl]methyl]nonadecanamide

C46H70N4O — CID 147487530

About N-[[4-[[2-butyl-4-(2,2-dimethylpropyl)imidazo[4,5-c]quinolin-1-yl]methyl]phenyl]methyl]nonadecanamide

N-[[4-[[2-butyl-4-(2,2-dimethylpropyl)imidazo[4,5-c]quinolin-1-yl]methyl]phenyl]methyl]nonadecanamide (PubChem CID 147487530) has the molecular formula C46H70N4O and a molecular weight of 695.09 g/mol. Its IUPAC name is N-[[4-[[2-butyl-4-(2,2-dimethylpropyl)imidazo[4,5-c]quinolin-1-yl]methyl]phenyl]methyl]nonadecanamide.

Molecular Properties

• Compound Name: N-[[4-[[2-butyl-4-(2,2-dimethylpropyl)imidazo[4,5-c]quinolin-1-yl]methyl]phenyl]methyl]nonadecanamide
• PubChem CID: 147487530
• Molecular Formula: C46H70N4O
• Molecular Weight: 695.09 g/mol
• Exact Mass: 694.55
• IUPAC Name: N-[[4-[[2-butyl-4-(2,2-dimethylpropyl)imidazo[4,5-c]quinolin-1-yl]methyl]phenyl]methyl]nonadecanamide
• SMILES: CCCCCCCCCCCCCCCCCCC(=O)NCc1ccc(Cn2c(CCCC)nc3c(CC(C)(C)C)nc4ccccc4c32)cc1
• InChI: InChI=1S/C46H70N4O/c1-6-8-10-11-12-13-14-15-16-17-18-19-20-21-22-23-29-43(51)47-35-37-30-32-38(33-31-37)36-50-42(28-9-7-2)49-44-41(34-46(3,4)5)48-40-27-25-24-26-39(40)45(44)50/h24-27,30-33H,6-23,28-29,34-36H2,1-5H3,(H,47,51)
• InChIKey: FEWKOYPIXVBPOV-UHFFFAOYSA-N
• XLogP: 12.83
• TPSA: 59.81 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 25
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	695.09
LogP ≤ 5	12.83
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[[4-[[2-butyl-4-(2,2-dimethylpropyl)imidazo[4,5-c]quinolin-1-yl]methyl]phenyl]methyl]nonadecanamide?

The IUPAC name of N-[[4-[[2-butyl-4-(2,2-dimethylpropyl)imidazo[4,5-c]quinolin-1-yl]methyl]phenyl]methyl]nonadecanamide (CID 147487530) is N-[[4-[[2-butyl-4-(2,2-dimethylpropyl)imidazo[4,5-c]quinolin-1-yl]methyl]phenyl]methyl]nonadecanamide.

What is the SMILES notation for N-[[4-[[2-butyl-4-(2,2-dimethylpropyl)imidazo[4,5-c]quinolin-1-yl]methyl]phenyl]methyl]nonadecanamide?

The canonical SMILES for N-[[4-[[2-butyl-4-(2,2-dimethylpropyl)imidazo[4,5-c]quinolin-1-yl]methyl]phenyl]methyl]nonadecanamide is CCCCCCCCCCCCCCCCCCC(=O)NCc1ccc(Cn2c(CCCC)nc3c(CC(C)(C)C)nc4ccccc4c32)cc1.

What is the InChIKey of N-[[4-[[2-butyl-4-(2,2-dimethylpropyl)imidazo[4,5-c]quinolin-1-yl]methyl]phenyl]methyl]nonadecanamide?

The InChIKey is FEWKOYPIXVBPOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H70N4O/c1-6-8-10-11-12-13-14-15-16-17-18-19-20-21-22-23-29-43(51)47-35-37-30-32-38(33-31-37)36-50-42(28-9-7-2)49-44-41(34-46(3,4)5)48-40-27-25-24-26-39(40)45(44)50/h24-27,30-33H,6-23,28-29,34-36H2,1-5H3,(H,47,51).

What are the key properties of N-[[4-[[2-butyl-4-(2,2-dimethylpropyl)imidazo[4,5-c]quinolin-1-yl]methyl]phenyl]methyl]nonadecanamide?

N-[[4-[[2-butyl-4-(2,2-dimethylpropyl)imidazo[4,5-c]quinolin-1-yl]methyl]phenyl]methyl]nonadecanamide has a molecular weight of 695.09 g/mol, XLogP of 12.83, 25 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[4-[[2-butyl-4-(2,2-dimethylpropyl)imidazo[4,5-c]quinolin-1-yl]methyl]phenyl]methyl]nonadecanamide is sourced from PubChem (CID 147487530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).