N-[2-[1-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-yl]oxyethyl]-2-(4-methylpiperazin-1-yl)acetamide

C26H39N7O3 — CID 171560982

About N-[2-[1-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-yl]oxyethyl]-2-(4-methylpiperazin-1-yl)acetamide

N-[2-[1-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-yl]oxyethyl]-2-(4-methylpiperazin-1-yl)acetamide (PubChem CID 171560982) has the molecular formula C26H39N7O3 and a molecular weight of 497.64 g/mol. Its IUPAC name is N-[2-[1-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-yl]oxyethyl]-2-(4-methylpiperazin-1-yl)acetamide.

Molecular Properties

• Compound Name: N-[2-[1-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-yl]oxyethyl]-2-(4-methylpiperazin-1-yl)acetamide
• PubChem CID: 171560982
• Molecular Formula: C26H39N7O3
• Molecular Weight: 497.64 g/mol
• Exact Mass: 497.31
• IUPAC Name: N-[2-[1-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-yl]oxyethyl]-2-(4-methylpiperazin-1-yl)acetamide
• SMILES: CCOCc1nc2c(N)nc3ccccc3c2n1CC(C)(C)OCCNC(=O)CN1CCN(C)CC1
• InChI: InChI=1S/C26H39N7O3/c1-5-35-17-21-30-23-24(19-8-6-7-9-20(19)29-25(23)27)33(21)18-26(2,3)36-15-10-28-22(34)16-32-13-11-31(4)12-14-32/h6-9H,5,10-18H2,1-4H3,(H2,27,29)(H,28,34)
• InChIKey: MDMCGFRIPQXHQP-UHFFFAOYSA-N
• XLogP: 1.86
• TPSA: 110.77 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 11
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	497.64
LogP ≤ 5	1.86
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-yl]oxyethyl]-2-(4-methylpiperazin-1-yl)acetamide?

The IUPAC name of N-[2-[1-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-yl]oxyethyl]-2-(4-methylpiperazin-1-yl)acetamide (CID 171560982) is N-[2-[1-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-yl]oxyethyl]-2-(4-methylpiperazin-1-yl)acetamide.

What is the SMILES notation for N-[2-[1-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-yl]oxyethyl]-2-(4-methylpiperazin-1-yl)acetamide?

The canonical SMILES for N-[2-[1-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-yl]oxyethyl]-2-(4-methylpiperazin-1-yl)acetamide is CCOCc1nc2c(N)nc3ccccc3c2n1CC(C)(C)OCCNC(=O)CN1CCN(C)CC1.

What is the InChIKey of N-[2-[1-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-yl]oxyethyl]-2-(4-methylpiperazin-1-yl)acetamide?

The InChIKey is MDMCGFRIPQXHQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H39N7O3/c1-5-35-17-21-30-23-24(19-8-6-7-9-20(19)29-25(23)27)33(21)18-26(2,3)36-15-10-28-22(34)16-32-13-11-31(4)12-14-32/h6-9H,5,10-18H2,1-4H3,(H2,27,29)(H,28,34).

What are the key properties of N-[2-[1-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-yl]oxyethyl]-2-(4-methylpiperazin-1-yl)acetamide?

N-[2-[1-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-yl]oxyethyl]-2-(4-methylpiperazin-1-yl)acetamide has a molecular weight of 497.64 g/mol, XLogP of 1.86, 11 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[1-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-yl]oxyethyl]-2-(4-methylpiperazin-1-yl)acetamide is sourced from PubChem (CID 171560982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).