N-[2-[2-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)ethoxy]ethyl]naphthalene-1-carboxamide

C29H31N5O2 — CID 20608821

About N-[2-[2-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)ethoxy]ethyl]naphthalene-1-carboxamide

N-[2-[2-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)ethoxy]ethyl]naphthalene-1-carboxamide (PubChem CID 20608821) has the molecular formula C29H31N5O2 and a molecular weight of 481.60 g/mol. Its IUPAC name is N-[2-[2-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)ethoxy]ethyl]naphthalene-1-carboxamide.

Molecular Properties

• Compound Name: N-[2-[2-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)ethoxy]ethyl]naphthalene-1-carboxamide
• PubChem CID: 20608821
• Molecular Formula: C29H31N5O2
• Molecular Weight: 481.60 g/mol
• Exact Mass: 481.25
• IUPAC Name: N-[2-[2-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)ethoxy]ethyl]naphthalene-1-carboxamide
• SMILES: CCCCc1nc2c(N)nc3ccccc3c2n1CCOCCNC(=O)c1cccc2ccccc12
• InChI: InChI=1S/C29H31N5O2/c1-2-3-15-25-33-26-27(23-12-6-7-14-24(23)32-28(26)30)34(25)17-19-36-18-16-31-29(35)22-13-8-10-20-9-4-5-11-21(20)22/h4-14H,2-3,15-19H2,1H3,(H2,30,32)(H,31,35)
• InChIKey: ANABJUSWZKEOEM-UHFFFAOYSA-N
• XLogP: 5.11
• TPSA: 95.06 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	481.60
LogP ≤ 5	5.11
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)ethoxy]ethyl]naphthalene-1-carboxamide?

The IUPAC name of N-[2-[2-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)ethoxy]ethyl]naphthalene-1-carboxamide (CID 20608821) is N-[2-[2-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)ethoxy]ethyl]naphthalene-1-carboxamide.

What is the SMILES notation for N-[2-[2-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)ethoxy]ethyl]naphthalene-1-carboxamide?

The canonical SMILES for N-[2-[2-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)ethoxy]ethyl]naphthalene-1-carboxamide is CCCCc1nc2c(N)nc3ccccc3c2n1CCOCCNC(=O)c1cccc2ccccc12.

What is the InChIKey of N-[2-[2-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)ethoxy]ethyl]naphthalene-1-carboxamide?

The InChIKey is ANABJUSWZKEOEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31N5O2/c1-2-3-15-25-33-26-27(23-12-6-7-14-24(23)32-28(26)30)34(25)17-19-36-18-16-31-29(35)22-13-8-10-20-9-4-5-11-21(20)22/h4-14H,2-3,15-19H2,1H3,(H2,30,32)(H,31,35).

What are the key properties of N-[2-[2-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)ethoxy]ethyl]naphthalene-1-carboxamide?

N-[2-[2-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)ethoxy]ethyl]naphthalene-1-carboxamide has a molecular weight of 481.60 g/mol, XLogP of 5.11, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[2-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)ethoxy]ethyl]naphthalene-1-carboxamide is sourced from PubChem (CID 20608821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).