Ethyl N-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl]carbamate

C₂₁H₂₉N₅O₃ — CID 130232652

About Ethyl N-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl]carbamate

Ethyl N-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl]carbamate (PubChem CID 130232652) has the molecular formula C₂₁H₂₉N₅O₃ and a molecular weight of 399.50 g/mol. Its IUPAC name is ethyl N-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl]carbamate.

Molecular Properties

• Compound Name: Ethyl N-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl]carbamate
• PubChem CID: 130232652
• Molecular Formula: C₂₁H₂₉N₅O₃
• Molecular Weight: 399.50 g/mol
• Exact Mass: 399.23
• IUPAC Name: ethyl N-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl]carbamate
• SMILES: CCCCc1nc2c(N)nc3ccccc3c2n1OCCCCNC(=O)OCC
• InChI: InChI=1S/C21H29N5O3/c1-3-5-12-17-25-18-19(15-10-6-7-11-16(15)24-20(18)22)26(17)29-14-9-8-13-23-21(27)28-4-2/h6-7,10-11H,3-5,8-9,12-14H2,1-2H3,(H2,22,24)(H,23,27)
• InChIKey: WLIVUXIQQQYOFZ-UHFFFAOYSA-N
• XLogP: 3.46
• TPSA: 104.29 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	399.50
LogP ≤ 5	3.46
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of Ethyl N-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl]carbamate?

The IUPAC name of Ethyl N-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl]carbamate (CID 130232652) is ethyl N-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl]carbamate.

What is the SMILES notation for Ethyl N-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl]carbamate?

The canonical SMILES for Ethyl N-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl]carbamate is CCCCc1nc2c(N)nc3ccccc3c2n1OCCCCNC(=O)OCC.

What is the InChIKey of Ethyl N-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl]carbamate?

The InChIKey is WLIVUXIQQQYOFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O3/c1-3-5-12-17-25-18-19(15-10-6-7-11-16(15)24-20(18)22)26(17)29-14-9-8-13-23-21(27)28-4-2/h6-7,10-11H,3-5,8-9,12-14H2,1-2H3,(H2,22,24)(H,23,27).

What are the key properties of Ethyl N-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl]carbamate?

Ethyl N-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl]carbamate has a molecular weight of 399.50 g/mol, XLogP of 3.46, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for Ethyl N-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl]carbamate is sourced from PubChem (CID 130232652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 130232652 — identifiers, structure, computed properties (public domain)

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