4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl-dimethyl-[2-[2-[2-[2-[2-[2-[2-[2-(3-oxobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]azanium

C40H68N5O9+ — CID 164947266

About 4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl-dimethyl-[2-[2-[2-[2-[2-[2-[2-[2-(3-oxobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]azanium

4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl-dimethyl-[2-[2-[2-[2-[2-[2-[2-[2-(3-oxobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]azanium (PubChem CID 164947266) has the molecular formula C40H68N5O9+ and a molecular weight of 763.01 g/mol. Its IUPAC name is 4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl-dimethyl-[2-[2-[2-[2-[2-[2-[2-[2-(3-oxobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]azanium.

Molecular Properties

• Compound Name: 4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl-dimethyl-[2-[2-[2-[2-[2-[2-[2-[2-(3-oxobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]azanium
• PubChem CID: 164947266
• Molecular Formula: C40H68N5O9+
• Molecular Weight: 763.01 g/mol
• Exact Mass: 762.50
• IUPAC Name: 4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl-dimethyl-[2-[2-[2-[2-[2-[2-[2-[2-(3-oxobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]azanium
• SMILES: CCCCc1nc2c(N)nc3ccccc3c2n1CCCC[N+](C)(C)CCOCCOCCOCCOCCOCCOCCOCCOCCC(C)=O
• InChI: InChI=1S/C40H68N5O9/c1-5-6-13-37-43-38-39(35-11-7-8-12-36(35)42-40(38)41)44(37)15-9-10-16-45(3,4)17-19-48-21-23-50-25-27-52-29-31-54-33-32-53-30-28-51-26-24-49-22-20-47-18-14-34(2)46/h7-8,11-12H,5-6,9-10,13-33H2,1-4H3,(H2,41,42)/q+1
• InChIKey: BQORADROBZIRAW-UHFFFAOYSA-N
• XLogP: 4.48
• TPSA: 147.64 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 13
• Rotatable Bonds: 35
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	763.01
LogP ≤ 5	4.48
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl-dimethyl-[2-[2-[2-[2-[2-[2-[2-[2-(3-oxobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]azanium?

The IUPAC name of 4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl-dimethyl-[2-[2-[2-[2-[2-[2-[2-[2-(3-oxobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]azanium (CID 164947266) is 4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl-dimethyl-[2-[2-[2-[2-[2-[2-[2-[2-(3-oxobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]azanium.

What is the SMILES notation for 4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl-dimethyl-[2-[2-[2-[2-[2-[2-[2-[2-(3-oxobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]azanium?

The canonical SMILES for 4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl-dimethyl-[2-[2-[2-[2-[2-[2-[2-[2-(3-oxobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]azanium is CCCCc1nc2c(N)nc3ccccc3c2n1CCCC[N+](C)(C)CCOCCOCCOCCOCCOCCOCCOCCOCCC(C)=O.

What is the InChIKey of 4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl-dimethyl-[2-[2-[2-[2-[2-[2-[2-[2-(3-oxobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]azanium?

The InChIKey is BQORADROBZIRAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H68N5O9/c1-5-6-13-37-43-38-39(35-11-7-8-12-36(35)42-40(38)41)44(37)15-9-10-16-45(3,4)17-19-48-21-23-50-25-27-52-29-31-54-33-32-53-30-28-51-26-24-49-22-20-47-18-14-34(2)46/h7-8,11-12H,5-6,9-10,13-33H2,1-4H3,(H2,41,42)/q+1.

What are the key properties of 4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl-dimethyl-[2-[2-[2-[2-[2-[2-[2-[2-(3-oxobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]azanium?

4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl-dimethyl-[2-[2-[2-[2-[2-[2-[2-[2-(3-oxobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]azanium has a molecular weight of 763.01 g/mol, XLogP of 4.48, 35 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl-dimethyl-[2-[2-[2-[2-[2-[2-[2-[2-(3-oxobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]azanium is sourced from PubChem (CID 164947266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).