3-[2-[2-[2-[2-[4-(4-amino-2-butyl-3H-imidazo[4,5-c]quinolin-8-yl)piperazin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]-N-[5-amino-7-(1-methylcyclooctyl)-6-oxooctyl]propanamide

C46H76N8O6 — CID 167298565

About 3-[2-[2-[2-[2-[4-(4-amino-2-butyl-3H-imidazo[4,5-c]quinolin-8-yl)piperazin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]-N-[5-amino-7-(1-methylcyclooctyl)-6-oxooctyl]propanamide

3-[2-[2-[2-[2-[4-(4-amino-2-butyl-3H-imidazo[4,5-c]quinolin-8-yl)piperazin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]-N-[5-amino-7-(1-methylcyclooctyl)-6-oxooctyl]propanamide (PubChem CID 167298565) has the molecular formula C46H76N8O6 and a molecular weight of 837.16 g/mol. Its IUPAC name is 3-[2-[2-[2-[2-[4-(4-amino-2-butyl-3H-imidazo[4,5-c]quinolin-8-yl)piperazin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]-N-[5-amino-7-(1-methylcyclooctyl)-6-oxooctyl]propanamide.

Molecular Properties

• Compound Name: 3-[2-[2-[2-[2-[4-(4-amino-2-butyl-3H-imidazo[4,5-c]quinolin-8-yl)piperazin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]-N-[5-amino-7-(1-methylcyclooctyl)-6-oxooctyl]propanamide
• PubChem CID: 167298565
• Molecular Formula: C46H76N8O6
• Molecular Weight: 837.16 g/mol
• Exact Mass: 836.59
• IUPAC Name: 3-[2-[2-[2-[2-[4-(4-amino-2-butyl-3H-imidazo[4,5-c]quinolin-8-yl)piperazin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]-N-[5-amino-7-(1-methylcyclooctyl)-6-oxooctyl]propanamide
• SMILES: CCCCc1nc2c([nH]1)c(N)nc1ccc(N3CCN(CCOCCOCCOCCOCCC(=O)NCCCCC(N)C(=O)C(C)C4(C)CCCCCCC4)CC3)cc12
• InChI: InChI=1S/C46H76N8O6/c1-4-5-14-40-51-42-37-34-36(15-16-39(37)50-45(48)43(42)52-40)54-23-21-53(22-24-54)25-27-58-29-31-60-33-32-59-30-28-57-26-17-41(55)49-20-12-9-13-38(47)44(56)35(2)46(3)18-10-7-6-8-11-19-46/h15-16,34-35,38H,4-14,17-33,47H2,1-3H3,(H2,48,50)(H,49,55)(H,51,52)
• InChIKey: UOHXLAYJXRIUHK-UHFFFAOYSA-N
• XLogP: 6.18
• TPSA: 183.18 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 12
• Rotatable Bonds: 27
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	837.16
LogP ≤ 5	6.18
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-[2-[2-[4-(4-amino-2-butyl-3H-imidazo[4,5-c]quinolin-8-yl)piperazin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]-N-[5-amino-7-(1-methylcyclooctyl)-6-oxooctyl]propanamide?

The IUPAC name of 3-[2-[2-[2-[2-[4-(4-amino-2-butyl-3H-imidazo[4,5-c]quinolin-8-yl)piperazin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]-N-[5-amino-7-(1-methylcyclooctyl)-6-oxooctyl]propanamide (CID 167298565) is 3-[2-[2-[2-[2-[4-(4-amino-2-butyl-3H-imidazo[4,5-c]quinolin-8-yl)piperazin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]-N-[5-amino-7-(1-methylcyclooctyl)-6-oxooctyl]propanamide.

What is the SMILES notation for 3-[2-[2-[2-[2-[4-(4-amino-2-butyl-3H-imidazo[4,5-c]quinolin-8-yl)piperazin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]-N-[5-amino-7-(1-methylcyclooctyl)-6-oxooctyl]propanamide?

The canonical SMILES for 3-[2-[2-[2-[2-[4-(4-amino-2-butyl-3H-imidazo[4,5-c]quinolin-8-yl)piperazin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]-N-[5-amino-7-(1-methylcyclooctyl)-6-oxooctyl]propanamide is CCCCc1nc2c([nH]1)c(N)nc1ccc(N3CCN(CCOCCOCCOCCOCCC(=O)NCCCCC(N)C(=O)C(C)C4(C)CCCCCCC4)CC3)cc12.

What is the InChIKey of 3-[2-[2-[2-[2-[4-(4-amino-2-butyl-3H-imidazo[4,5-c]quinolin-8-yl)piperazin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]-N-[5-amino-7-(1-methylcyclooctyl)-6-oxooctyl]propanamide?

The InChIKey is UOHXLAYJXRIUHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H76N8O6/c1-4-5-14-40-51-42-37-34-36(15-16-39(37)50-45(48)43(42)52-40)54-23-21-53(22-24-54)25-27-58-29-31-60-33-32-59-30-28-57-26-17-41(55)49-20-12-9-13-38(47)44(56)35(2)46(3)18-10-7-6-8-11-19-46/h15-16,34-35,38H,4-14,17-33,47H2,1-3H3,(H2,48,50)(H,49,55)(H,51,52).

What are the key properties of 3-[2-[2-[2-[2-[4-(4-amino-2-butyl-3H-imidazo[4,5-c]quinolin-8-yl)piperazin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]-N-[5-amino-7-(1-methylcyclooctyl)-6-oxooctyl]propanamide?

3-[2-[2-[2-[2-[4-(4-amino-2-butyl-3H-imidazo[4,5-c]quinolin-8-yl)piperazin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]-N-[5-amino-7-(1-methylcyclooctyl)-6-oxooctyl]propanamide has a molecular weight of 837.16 g/mol, XLogP of 6.18, 27 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-[2-[2-[2-[4-(4-amino-2-butyl-3H-imidazo[4,5-c]quinolin-8-yl)piperazin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]-N-[5-amino-7-(1-methylcyclooctyl)-6-oxooctyl]propanamide is sourced from PubChem (CID 167298565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).