1-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]-3-(2-chlorophenyl)urea

C25H29ClN6O — CID 22985761

About 1-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]-3-(2-chlorophenyl)urea

1-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]-3-(2-chlorophenyl)urea (PubChem CID 22985761) has the molecular formula C25H29ClN6O and a molecular weight of 465.00 g/mol. Its IUPAC name is 1-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]-3-(2-chlorophenyl)urea.

Molecular Properties

• Compound Name: 1-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]-3-(2-chlorophenyl)urea
• PubChem CID: 22985761
• Molecular Formula: C25H29ClN6O
• Molecular Weight: 465.00 g/mol
• Exact Mass: 464.21
• IUPAC Name: 1-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]-3-(2-chlorophenyl)urea
• SMILES: CCCCc1nc2c(N)nc3ccccc3c2n1CCCCNC(=O)Nc1ccccc1Cl
• InChI: InChI=1S/C25H29ClN6O/c1-2-3-14-21-31-22-23(17-10-4-6-12-19(17)29-24(22)27)32(21)16-9-8-15-28-25(33)30-20-13-7-5-11-18(20)26/h4-7,10-13H,2-3,8-9,14-16H2,1H3,(H2,27,29)(H2,28,30,33)
• InChIKey: SLSTVCHZKMIULJ-UHFFFAOYSA-N
• XLogP: 5.76
• TPSA: 97.86 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	465.00
LogP ≤ 5	5.76
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]-3-(2-chlorophenyl)urea?

The IUPAC name of 1-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]-3-(2-chlorophenyl)urea (CID 22985761) is 1-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]-3-(2-chlorophenyl)urea.

What is the SMILES notation for 1-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]-3-(2-chlorophenyl)urea?

The canonical SMILES for 1-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]-3-(2-chlorophenyl)urea is CCCCc1nc2c(N)nc3ccccc3c2n1CCCCNC(=O)Nc1ccccc1Cl.

What is the InChIKey of 1-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]-3-(2-chlorophenyl)urea?

The InChIKey is SLSTVCHZKMIULJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29ClN6O/c1-2-3-14-21-31-22-23(17-10-4-6-12-19(17)29-24(22)27)32(21)16-9-8-15-28-25(33)30-20-13-7-5-11-18(20)26/h4-7,10-13H,2-3,8-9,14-16H2,1H3,(H2,27,29)(H2,28,30,33).

What are the key properties of 1-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]-3-(2-chlorophenyl)urea?

1-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]-3-(2-chlorophenyl)urea has a molecular weight of 465.00 g/mol, XLogP of 5.76, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]-3-(2-chlorophenyl)urea is sourced from PubChem (CID 22985761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).