3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[N'-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]-N-[3-[[3-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]methyl]phenyl]carbamimidoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid

C71H120N8O23 — CID 155128352

About 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[N'-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]-N-[3-[[3-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]methyl]phenyl]carbamimidoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid

3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[N'-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]-N-[3-[[3-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]methyl]phenyl]carbamimidoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid (PubChem CID 155128352) has the molecular formula C71H120N8O23 and a molecular weight of 1453.77 g/mol. Its IUPAC name is 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[N'-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]-N-[3-[[3-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]methyl]phenyl]carbamimidoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid.

Molecular Properties

• Compound Name: 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[N'-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]-N-[3-[[3-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]methyl]phenyl]carbamimidoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
• PubChem CID: 155128352
• Molecular Formula: C71H120N8O23
• Molecular Weight: 1453.77 g/mol
• Exact Mass: 1452.85
• IUPAC Name: 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[N'-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]-N-[3-[[3-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]methyl]phenyl]carbamimidoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
• SMILES: CCCCc1nc2c(N)nc3ccccc3c2n1CCCC/N=C(\NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)O)Nc1cccc(CNC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC)c1
• InChI: InChI=1S/C71H120N8O23/c1-3-4-14-65-78-68-69(63-12-5-6-13-64(63)77-70(68)72)79(65)19-8-7-17-73-71(74-18-22-86-27-30-90-35-38-94-43-46-98-51-54-102-58-57-101-53-50-97-45-42-93-37-34-89-29-26-85-21-16-67(81)82)76-62-11-9-10-61(59-62)60-75-66(80)15-20-84-25-28-88-33-36-92-41-44-96-49-52-100-56-55-99-48-47-95-40-39-91-32-31-87-24-23-83-2/h5-6,9-13,59H,3-4,7-8,14-58,60H2,1-2H3,(H2,72,77)(H,75,80)(H,81,82)(H2,73,74,76)
• InChIKey: QHUIRMLREORPGK-UHFFFAOYSA-N
• XLogP: 4.79
• TPSA: 344.15 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 27
• Rotatable Bonds: 74
• Heavy Atoms: 102
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1453.77
LogP ≤ 5	4.79
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[N'-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]-N-[3-[[3-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]methyl]phenyl]carbamimidoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid?

The IUPAC name of 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[N'-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]-N-[3-[[3-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]methyl]phenyl]carbamimidoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid (CID 155128352) is 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[N'-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]-N-[3-[[3-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]methyl]phenyl]carbamimidoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid.

What is the SMILES notation for 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[N'-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]-N-[3-[[3-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]methyl]phenyl]carbamimidoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid?

The canonical SMILES for 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[N'-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]-N-[3-[[3-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]methyl]phenyl]carbamimidoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid is CCCCc1nc2c(N)nc3ccccc3c2n1CCCC/N=C(\NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)O)Nc1cccc(CNC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC)c1.

What is the InChIKey of 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[N'-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]-N-[3-[[3-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]methyl]phenyl]carbamimidoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid?

The InChIKey is QHUIRMLREORPGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C71H120N8O23/c1-3-4-14-65-78-68-69(63-12-5-6-13-64(63)77-70(68)72)79(65)19-8-7-17-73-71(74-18-22-86-27-30-90-35-38-94-43-46-98-51-54-102-58-57-101-53-50-97-45-42-93-37-34-89-29-26-85-21-16-67(81)82)76-62-11-9-10-61(59-62)60-75-66(80)15-20-84-25-28-88-33-36-92-41-44-96-49-52-100-56-55-99-48-47-95-40-39-91-32-31-87-24-23-83-2/h5-6,9-13,59H,3-4,7-8,14-58,60H2,1-2H3,(H2,72,77)(H,75,80)(H,81,82)(H2,73,74,76).

What are the key properties of 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[N'-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]-N-[3-[[3-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]methyl]phenyl]carbamimidoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid?

3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[N'-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]-N-[3-[[3-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]methyl]phenyl]carbamimidoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid has a molecular weight of 1453.77 g/mol, XLogP of 4.79, 74 rotatable bonds, 5 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[N'-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]-N-[3-[[3-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]methyl]phenyl]carbamimidoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid is sourced from PubChem (CID 155128352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).