2-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl]octadecanamide

C36H59N5O2 — CID 151097826

About 2-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl]octadecanamide

2-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl]octadecanamide (PubChem CID 151097826) has the molecular formula C36H59N5O2 and a molecular weight of 593.90 g/mol. Its IUPAC name is 2-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl]octadecanamide.

Molecular Properties

• Compound Name: 2-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl]octadecanamide
• PubChem CID: 151097826
• Molecular Formula: C36H59N5O2
• Molecular Weight: 593.90 g/mol
• Exact Mass: 593.47
• IUPAC Name: 2-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl]octadecanamide
• SMILES: CCCCCCCCCCCCCCCCC(CCCCOn1c(CCCC)nc2c(N)nc3ccccc3c21)C(N)=O
• InChI: InChI=1S/C36H59N5O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-23-29(36(38)42)24-21-22-28-43-41-32(27-6-4-2)40-33-34(41)30-25-19-20-26-31(30)39-35(33)37/h19-20,25-26,29H,3-18,21-24,27-28H2,1-2H3,(H2,37,39)(H2,38,42)
• InChIKey: MNMOJPQPNABNLD-UHFFFAOYSA-N
• XLogP: 9.08
• TPSA: 109.05 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 25
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	593.90
LogP ≤ 5	9.08
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl]octadecanamide?

The IUPAC name of 2-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl]octadecanamide (CID 151097826) is 2-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl]octadecanamide.

What is the SMILES notation for 2-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl]octadecanamide?

The canonical SMILES for 2-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl]octadecanamide is CCCCCCCCCCCCCCCCC(CCCCOn1c(CCCC)nc2c(N)nc3ccccc3c21)C(N)=O.

What is the InChIKey of 2-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl]octadecanamide?

The InChIKey is MNMOJPQPNABNLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H59N5O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-23-29(36(38)42)24-21-22-28-43-41-32(27-6-4-2)40-33-34(41)30-25-19-20-26-31(30)39-35(33)37/h19-20,25-26,29H,3-18,21-24,27-28H2,1-2H3,(H2,37,39)(H2,38,42).

What are the key properties of 2-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl]octadecanamide?

2-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl]octadecanamide has a molecular weight of 593.90 g/mol, XLogP of 9.08, 25 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl]octadecanamide is sourced from PubChem (CID 151097826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).