N-[[4-[[2-butyl-4-(tert-butylamino)imidazo[4,5-c]quinolin-1-yl]methyl]phenyl]methyl]tetradecanamide

C40H59N5O — CID 138645098

About N-[[4-[[2-butyl-4-(tert-butylamino)imidazo[4,5-c]quinolin-1-yl]methyl]phenyl]methyl]tetradecanamide

N-[[4-[[2-butyl-4-(tert-butylamino)imidazo[4,5-c]quinolin-1-yl]methyl]phenyl]methyl]tetradecanamide (PubChem CID 138645098) has the molecular formula C40H59N5O and a molecular weight of 625.95 g/mol. Its IUPAC name is N-[[4-[[2-butyl-4-(tert-butylamino)imidazo[4,5-c]quinolin-1-yl]methyl]phenyl]methyl]tetradecanamide.

Molecular Properties

• Compound Name: N-[[4-[[2-butyl-4-(tert-butylamino)imidazo[4,5-c]quinolin-1-yl]methyl]phenyl]methyl]tetradecanamide
• PubChem CID: 138645098
• Molecular Formula: C40H59N5O
• Molecular Weight: 625.95 g/mol
• Exact Mass: 625.47
• IUPAC Name: N-[[4-[[2-butyl-4-(tert-butylamino)imidazo[4,5-c]quinolin-1-yl]methyl]phenyl]methyl]tetradecanamide
• SMILES: CCCCCCCCCCCCCC(=O)NCc1ccc(Cn2c(CCCC)nc3c(NC(C)(C)C)nc4ccccc4c32)cc1
• InChI: InChI=1S/C40H59N5O/c1-6-8-10-11-12-13-14-15-16-17-18-24-36(46)41-29-31-25-27-32(28-26-31)30-45-35(23-9-7-2)43-37-38(45)33-21-19-20-22-34(33)42-39(37)44-40(3,4)5/h19-22,25-28H,6-18,23-24,29-30H2,1-5H3,(H,41,46)(H,42,44)
• InChIKey: GAVLELUBSVBCGW-UHFFFAOYSA-N
• XLogP: 10.50
• TPSA: 71.84 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 20
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	625.95
LogP ≤ 5	10.50
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

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-(tert-butylamino)imidazo[4,5-c]quinolin-1-yl]methyl]phenyl]methyl]tetradecanamide?

The IUPAC name of N-[[4-[[2-butyl-4-(tert-butylamino)imidazo[4,5-c]quinolin-1-yl]methyl]phenyl]methyl]tetradecanamide (CID 138645098) is N-[[4-[[2-butyl-4-(tert-butylamino)imidazo[4,5-c]quinolin-1-yl]methyl]phenyl]methyl]tetradecanamide.

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

The canonical SMILES for N-[[4-[[2-butyl-4-(tert-butylamino)imidazo[4,5-c]quinolin-1-yl]methyl]phenyl]methyl]tetradecanamide is CCCCCCCCCCCCCC(=O)NCc1ccc(Cn2c(CCCC)nc3c(NC(C)(C)C)nc4ccccc4c32)cc1.

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

The InChIKey is GAVLELUBSVBCGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H59N5O/c1-6-8-10-11-12-13-14-15-16-17-18-24-36(46)41-29-31-25-27-32(28-26-31)30-45-35(23-9-7-2)43-37-38(45)33-21-19-20-22-34(33)42-39(37)44-40(3,4)5/h19-22,25-28H,6-18,23-24,29-30H2,1-5H3,(H,41,46)(H,42,44).

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

N-[[4-[[2-butyl-4-(tert-butylamino)imidazo[4,5-c]quinolin-1-yl]methyl]phenyl]methyl]tetradecanamide has a molecular weight of 625.95 g/mol, XLogP of 10.50, 20 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[4-[[2-butyl-4-(tert-butylamino)imidazo[4,5-c]quinolin-1-yl]methyl]phenyl]methyl]tetradecanamide is sourced from PubChem (CID 138645098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).