N-[2-[2-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxyethoxy]ethyl]-4-tetradecylsulfanylbutanamide

C36H59N5O3S — CID 150695093

About N-[2-[2-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxyethoxy]ethyl]-4-tetradecylsulfanylbutanamide

N-[2-[2-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxyethoxy]ethyl]-4-tetradecylsulfanylbutanamide (PubChem CID 150695093) has the molecular formula C36H59N5O3S and a molecular weight of 641.97 g/mol. Its IUPAC name is N-[2-[2-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxyethoxy]ethyl]-4-tetradecylsulfanylbutanamide.

Molecular Properties

• Compound Name: N-[2-[2-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxyethoxy]ethyl]-4-tetradecylsulfanylbutanamide
• PubChem CID: 150695093
• Molecular Formula: C36H59N5O3S
• Molecular Weight: 641.97 g/mol
• Exact Mass: 641.43
• IUPAC Name: N-[2-[2-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxyethoxy]ethyl]-4-tetradecylsulfanylbutanamide
• SMILES: CCCCCCCCCCCCCCSCCCC(=O)NCCOCCOn1c(CCCC)nc2c(N)nc3ccccc3c21
• InChI: InChI=1S/C36H59N5O3S/c1-3-5-7-8-9-10-11-12-13-14-15-18-28-45-29-19-23-33(42)38-24-25-43-26-27-44-41-32(22-6-4-2)40-34-35(41)30-20-16-17-21-31(30)39-36(34)37/h16-17,20-21H,3-15,18-19,22-29H2,1-2H3,(H2,37,39)(H,38,42)
• InChIKey: JKRHCYLTQPDZNL-UHFFFAOYSA-N
• XLogP: 8.29
• TPSA: 104.29 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 27
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	641.97
LogP ≤ 5	8.29
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxyethoxy]ethyl]-4-tetradecylsulfanylbutanamide?

The IUPAC name of N-[2-[2-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxyethoxy]ethyl]-4-tetradecylsulfanylbutanamide (CID 150695093) is N-[2-[2-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxyethoxy]ethyl]-4-tetradecylsulfanylbutanamide.

What is the SMILES notation for N-[2-[2-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxyethoxy]ethyl]-4-tetradecylsulfanylbutanamide?

The canonical SMILES for N-[2-[2-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxyethoxy]ethyl]-4-tetradecylsulfanylbutanamide is CCCCCCCCCCCCCCSCCCC(=O)NCCOCCOn1c(CCCC)nc2c(N)nc3ccccc3c21.

What is the InChIKey of N-[2-[2-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxyethoxy]ethyl]-4-tetradecylsulfanylbutanamide?

The InChIKey is JKRHCYLTQPDZNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H59N5O3S/c1-3-5-7-8-9-10-11-12-13-14-15-18-28-45-29-19-23-33(42)38-24-25-43-26-27-44-41-32(22-6-4-2)40-34-35(41)30-20-16-17-21-31(30)39-36(34)37/h16-17,20-21H,3-15,18-19,22-29H2,1-2H3,(H2,37,39)(H,38,42).

What are the key properties of N-[2-[2-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxyethoxy]ethyl]-4-tetradecylsulfanylbutanamide?

N-[2-[2-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxyethoxy]ethyl]-4-tetradecylsulfanylbutanamide has a molecular weight of 641.97 g/mol, XLogP of 8.29, 27 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[2-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxyethoxy]ethyl]-4-tetradecylsulfanylbutanamide is sourced from PubChem (CID 150695093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).