5-(4-amino-2-butyl-3H-imidazo[4,5-c]quinolin-7-yl)pentyl-dimethyl-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-oxo-3-(2,3,5,6-tetrafluorophenoxy)propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]azanium

C50H76F4N5O12+ — CID 155128230

About 5-(4-amino-2-butyl-3H-imidazo[4,5-c]quinolin-7-yl)pentyl-dimethyl-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-oxo-3-(2,3,5,6-tetrafluorophenoxy)propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]azanium

5-(4-amino-2-butyl-3H-imidazo[4,5-c]quinolin-7-yl)pentyl-dimethyl-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-oxo-3-(2,3,5,6-tetrafluorophenoxy)propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]azanium (PubChem CID 155128230) has the molecular formula C50H76F4N5O12+ and a molecular weight of 1015.17 g/mol. Its IUPAC name is 5-(4-amino-2-butyl-3H-imidazo[4,5-c]quinolin-7-yl)pentyl-dimethyl-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-oxo-3-(2,3,5,6-tetrafluorophenoxy)propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]azanium.

Molecular Properties

• Compound Name: 5-(4-amino-2-butyl-3H-imidazo[4,5-c]quinolin-7-yl)pentyl-dimethyl-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-oxo-3-(2,3,5,6-tetrafluorophenoxy)propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]azanium
• PubChem CID: 155128230
• Molecular Formula: C50H76F4N5O12+
• Molecular Weight: 1015.17 g/mol
• Exact Mass: 1014.54
• IUPAC Name: 5-(4-amino-2-butyl-3H-imidazo[4,5-c]quinolin-7-yl)pentyl-dimethyl-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-oxo-3-(2,3,5,6-tetrafluorophenoxy)propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]azanium
• SMILES: CCCCc1nc2c([nH]1)c(N)nc1cc(CCCCC[N+](C)(C)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)Oc3c(F)c(F)cc(F)c3F)ccc12
• InChI: InChI=1S/C50H76F4N5O12/c1-4-5-10-43-57-47-39-12-11-38(36-42(39)56-50(55)48(47)58-43)9-7-6-8-14-59(2,3)15-17-62-19-21-64-23-25-66-27-29-68-31-33-70-35-34-69-32-30-67-28-26-65-24-22-63-20-18-61-16-13-44(60)71-49-45(53)40(51)37-41(52)46(49)54/h11-12,36-37H,4-10,13-35H2,1-3H3,(H2,55,56)(H,57,58)/q+1
• InChIKey: AZBZWLAXTMJXQG-UHFFFAOYSA-N
• XLogP: 6.54
• TPSA: 186.19 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 15
• Rotatable Bonds: 43
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1015.17
LogP ≤ 5	6.54
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-(4-amino-2-butyl-3H-imidazo[4,5-c]quinolin-7-yl)pentyl-dimethyl-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-oxo-3-(2,3,5,6-tetrafluorophenoxy)propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]azanium?

The IUPAC name of 5-(4-amino-2-butyl-3H-imidazo[4,5-c]quinolin-7-yl)pentyl-dimethyl-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-oxo-3-(2,3,5,6-tetrafluorophenoxy)propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]azanium (CID 155128230) is 5-(4-amino-2-butyl-3H-imidazo[4,5-c]quinolin-7-yl)pentyl-dimethyl-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-oxo-3-(2,3,5,6-tetrafluorophenoxy)propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]azanium.

What is the SMILES notation for 5-(4-amino-2-butyl-3H-imidazo[4,5-c]quinolin-7-yl)pentyl-dimethyl-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-oxo-3-(2,3,5,6-tetrafluorophenoxy)propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]azanium?

The canonical SMILES for 5-(4-amino-2-butyl-3H-imidazo[4,5-c]quinolin-7-yl)pentyl-dimethyl-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-oxo-3-(2,3,5,6-tetrafluorophenoxy)propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]azanium is CCCCc1nc2c([nH]1)c(N)nc1cc(CCCCC[N+](C)(C)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)Oc3c(F)c(F)cc(F)c3F)ccc12.

What is the InChIKey of 5-(4-amino-2-butyl-3H-imidazo[4,5-c]quinolin-7-yl)pentyl-dimethyl-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-oxo-3-(2,3,5,6-tetrafluorophenoxy)propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]azanium?

The InChIKey is AZBZWLAXTMJXQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H76F4N5O12/c1-4-5-10-43-57-47-39-12-11-38(36-42(39)56-50(55)48(47)58-43)9-7-6-8-14-59(2,3)15-17-62-19-21-64-23-25-66-27-29-68-31-33-70-35-34-69-32-30-67-28-26-65-24-22-63-20-18-61-16-13-44(60)71-49-45(53)40(51)37-41(52)46(49)54/h11-12,36-37H,4-10,13-35H2,1-3H3,(H2,55,56)(H,57,58)/q+1.

What are the key properties of 5-(4-amino-2-butyl-3H-imidazo[4,5-c]quinolin-7-yl)pentyl-dimethyl-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-oxo-3-(2,3,5,6-tetrafluorophenoxy)propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]azanium?

5-(4-amino-2-butyl-3H-imidazo[4,5-c]quinolin-7-yl)pentyl-dimethyl-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-oxo-3-(2,3,5,6-tetrafluorophenoxy)propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]azanium has a molecular weight of 1015.17 g/mol, XLogP of 6.54, 43 rotatable bonds, 2 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(4-amino-2-butyl-3H-imidazo[4,5-c]quinolin-7-yl)pentyl-dimethyl-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-oxo-3-(2,3,5,6-tetrafluorophenoxy)propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]azanium is sourced from PubChem (CID 155128230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).