1-[1-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-yl]-3-cyclopentylurea

C23H32N6O2 — CID 118231808

About 1-[1-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-yl]-3-cyclopentylurea

1-[1-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-yl]-3-cyclopentylurea (PubChem CID 118231808) has the molecular formula C23H32N6O2 and a molecular weight of 424.55 g/mol. Its IUPAC name is 1-[1-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-yl]-3-cyclopentylurea.

Molecular Properties

• Compound Name: 1-[1-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-yl]-3-cyclopentylurea
• PubChem CID: 118231808
• Molecular Formula: C23H32N6O2
• Molecular Weight: 424.55 g/mol
• Exact Mass: 424.26
• IUPAC Name: 1-[1-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-yl]-3-cyclopentylurea
• SMILES: CCOCc1nc2c(N)nc3ccccc3c2n1CC(C)(C)NC(=O)NC1CCCC1
• InChI: InChI=1S/C23H32N6O2/c1-4-31-13-18-27-19-20(16-11-7-8-12-17(16)26-21(19)24)29(18)14-23(2,3)28-22(30)25-15-9-5-6-10-15/h7-8,11-12,15H,4-6,9-10,13-14H2,1-3H3,(H2,24,26)(H2,25,28,30)
• InChIKey: BIWKOBSVKIEQLD-UHFFFAOYSA-N
• XLogP: 3.72
• TPSA: 107.09 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	424.55
LogP ≤ 5	3.72
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[1-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-yl]-3-cyclopentylurea?

The IUPAC name of 1-[1-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-yl]-3-cyclopentylurea (CID 118231808) is 1-[1-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-yl]-3-cyclopentylurea.

What is the SMILES notation for 1-[1-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-yl]-3-cyclopentylurea?

The canonical SMILES for 1-[1-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-yl]-3-cyclopentylurea is CCOCc1nc2c(N)nc3ccccc3c2n1CC(C)(C)NC(=O)NC1CCCC1.

What is the InChIKey of 1-[1-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-yl]-3-cyclopentylurea?

The InChIKey is BIWKOBSVKIEQLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N6O2/c1-4-31-13-18-27-19-20(16-11-7-8-12-17(16)26-21(19)24)29(18)14-23(2,3)28-22(30)25-15-9-5-6-10-15/h7-8,11-12,15H,4-6,9-10,13-14H2,1-3H3,(H2,24,26)(H2,25,28,30).

What are the key properties of 1-[1-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-yl]-3-cyclopentylurea?

1-[1-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-yl]-3-cyclopentylurea has a molecular weight of 424.55 g/mol, XLogP of 3.72, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-yl]-3-cyclopentylurea is sourced from PubChem (CID 118231808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).