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

C35H57N5O4 — CID 142540673

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

N-[2-[2-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxyethoxy]ethyl]-4-tridecoxybutanamide (PubChem CID 142540673) has the molecular formula C35H57N5O4 and a molecular weight of 611.87 g/mol. Its IUPAC name is N-[2-[2-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxyethoxy]ethyl]-4-tridecoxybutanamide.

Molecular Properties

• Compound Name: N-[2-[2-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxyethoxy]ethyl]-4-tridecoxybutanamide
• PubChem CID: 142540673
• Molecular Formula: C35H57N5O4
• Molecular Weight: 611.87 g/mol
• Exact Mass: 611.44
• IUPAC Name: N-[2-[2-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxyethoxy]ethyl]-4-tridecoxybutanamide
• SMILES: CCCCCCCCCCCCCOCCCC(=O)NCCOCCOn1c(CCCC)nc2c(N)nc3ccccc3c21
• InChI: InChI=1S/C35H57N5O4/c1-3-5-7-8-9-10-11-12-13-14-17-24-42-25-18-22-32(41)37-23-26-43-27-28-44-40-31(21-6-4-2)39-33-34(40)29-19-15-16-20-30(29)38-35(33)36/h15-16,19-20H,3-14,17-18,21-28H2,1-2H3,(H2,36,38)(H,37,41)
• InChIKey: YLOFGAFUISWEJT-UHFFFAOYSA-N
• XLogP: 7.18
• TPSA: 113.52 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 26
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	611.87
LogP ≤ 5	7.18
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-tridecoxybutanamide?

The IUPAC name of N-[2-[2-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxyethoxy]ethyl]-4-tridecoxybutanamide (CID 142540673) is N-[2-[2-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxyethoxy]ethyl]-4-tridecoxybutanamide.

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

The canonical SMILES for N-[2-[2-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxyethoxy]ethyl]-4-tridecoxybutanamide is CCCCCCCCCCCCCOCCCC(=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-tridecoxybutanamide?

The InChIKey is YLOFGAFUISWEJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H57N5O4/c1-3-5-7-8-9-10-11-12-13-14-17-24-42-25-18-22-32(41)37-23-26-43-27-28-44-40-31(21-6-4-2)39-33-34(40)29-19-15-16-20-30(29)38-35(33)36/h15-16,19-20H,3-14,17-18,21-28H2,1-2H3,(H2,36,38)(H,37,41).

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

N-[2-[2-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxyethoxy]ethyl]-4-tridecoxybutanamide has a molecular weight of 611.87 g/mol, XLogP of 7.18, 26 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-tridecoxybutanamide is sourced from PubChem (CID 142540673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).