3-[2-[4-(4-amino-2-butyl-3H-imidazo[4,5-c]quinolin-8-yl)piperazin-1-yl]ethoxy]-N-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethyl]propanamide

C33H46N8O6 — CID 164771429

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

3-[2-[4-(4-amino-2-butyl-3H-imidazo[4,5-c]quinolin-8-yl)piperazin-1-yl]ethoxy]-N-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethyl]propanamide (PubChem CID 164771429) has the molecular formula C33H46N8O6 and a molecular weight of 650.78 g/mol. Its IUPAC name is 3-[2-[4-(4-amino-2-butyl-3H-imidazo[4,5-c]quinolin-8-yl)piperazin-1-yl]ethoxy]-N-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethyl]propanamide.

Molecular Properties

• Compound Name: 3-[2-[4-(4-amino-2-butyl-3H-imidazo[4,5-c]quinolin-8-yl)piperazin-1-yl]ethoxy]-N-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethyl]propanamide
• PubChem CID: 164771429
• Molecular Formula: C33H46N8O6
• Molecular Weight: 650.78 g/mol
• Exact Mass: 650.35
• IUPAC Name: 3-[2-[4-(4-amino-2-butyl-3H-imidazo[4,5-c]quinolin-8-yl)piperazin-1-yl]ethoxy]-N-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethyl]propanamide
• SMILES: CCCCc1nc2c([nH]1)c(N)nc1ccc(N3CCN(CCOCCC(=O)NCCOCCOCCN4C(=O)C=CC4=O)CC3)cc12
• InChI: InChI=1S/C33H46N8O6/c1-2-3-4-27-37-31-25-23-24(5-6-26(25)36-33(34)32(31)38-27)40-13-11-39(12-14-40)15-19-45-17-9-28(42)35-10-18-46-21-22-47-20-16-41-29(43)7-8-30(41)44/h5-8,23H,2-4,9-22H2,1H3,(H2,34,36)(H,35,42)(H,37,38)
• InChIKey: RLGPYAUOFYIIRH-UHFFFAOYSA-N
• XLogP: 1.64
• TPSA: 168.24 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 11
• Rotatable Bonds: 19
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	650.78
LogP ≤ 5	1.64
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 3-[2-[4-(4-amino-2-butyl-3H-imidazo[4,5-c]quinolin-8-yl)piperazin-1-yl]ethoxy]-N-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethyl]propanamide (CID 164771429) is 3-[2-[4-(4-amino-2-butyl-3H-imidazo[4,5-c]quinolin-8-yl)piperazin-1-yl]ethoxy]-N-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethyl]propanamide.

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

The canonical SMILES for 3-[2-[4-(4-amino-2-butyl-3H-imidazo[4,5-c]quinolin-8-yl)piperazin-1-yl]ethoxy]-N-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethyl]propanamide is CCCCc1nc2c([nH]1)c(N)nc1ccc(N3CCN(CCOCCC(=O)NCCOCCOCCN4C(=O)C=CC4=O)CC3)cc12.

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

The InChIKey is RLGPYAUOFYIIRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H46N8O6/c1-2-3-4-27-37-31-25-23-24(5-6-26(25)36-33(34)32(31)38-27)40-13-11-39(12-14-40)15-19-45-17-9-28(42)35-10-18-46-21-22-47-20-16-41-29(43)7-8-30(41)44/h5-8,23H,2-4,9-22H2,1H3,(H2,34,36)(H,35,42)(H,37,38).

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

3-[2-[4-(4-amino-2-butyl-3H-imidazo[4,5-c]quinolin-8-yl)piperazin-1-yl]ethoxy]-N-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethyl]propanamide has a molecular weight of 650.78 g/mol, XLogP of 1.64, 19 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-[4-(4-amino-2-butyl-3H-imidazo[4,5-c]quinolin-8-yl)piperazin-1-yl]ethoxy]-N-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethyl]propanamide is sourced from PubChem (CID 164771429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).