1-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]-3-(2-chlorophenyl)urea;molecular hydrogen

C24H31ClN6O2 — CID 159994347

About 1-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]-3-(2-chlorophenyl)urea;molecular hydrogen

1-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]-3-(2-chlorophenyl)urea;molecular hydrogen (PubChem CID 159994347) has the molecular formula C24H31ClN6O2 and a molecular weight of 471.01 g/mol. Its IUPAC name is 1-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]-3-(2-chlorophenyl)urea;molecular hydrogen.

Molecular Properties

• Compound Name: 1-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]-3-(2-chlorophenyl)urea;molecular hydrogen
• PubChem CID: 159994347
• Molecular Formula: C24H31ClN6O2
• Molecular Weight: 471.01 g/mol
• Exact Mass: 470.22
• IUPAC Name: 1-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]-3-(2-chlorophenyl)urea;molecular hydrogen
• SMILES: COCCc1nc2c(N)nc3ccccc3c2n1CCCCNC(=O)Nc1ccccc1Cl.[H][H].[H][H]
• InChI: InChI=1S/C24H27ClN6O2.2H2/c1-33-15-12-20-30-21-22(16-8-2-4-10-18(16)28-23(21)26)31(20)14-7-6-13-27-24(32)29-19-11-5-3-9-17(19)25;;/h2-5,8-11H,6-7,12-15H2,1H3,(H2,26,28)(H2,27,29,32);2*1H
• InChIKey: OHISAJCCOZBJRG-UHFFFAOYSA-N
• XLogP: 5.10
• TPSA: 107.09 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	471.01
LogP ≤ 5	5.10
H-Bond Donors ≤ 5	3
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 1-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]-3-(2-chlorophenyl)urea;molecular hydrogen?

The IUPAC name of 1-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]-3-(2-chlorophenyl)urea;molecular hydrogen (CID 159994347) is 1-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]-3-(2-chlorophenyl)urea;molecular hydrogen.

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

The canonical SMILES for 1-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]-3-(2-chlorophenyl)urea;molecular hydrogen is COCCc1nc2c(N)nc3ccccc3c2n1CCCCNC(=O)Nc1ccccc1Cl.[H][H].[H][H].

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

The InChIKey is OHISAJCCOZBJRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClN6O2.2H2/c1-33-15-12-20-30-21-22(16-8-2-4-10-18(16)28-23(21)26)31(20)14-7-6-13-27-24(32)29-19-11-5-3-9-17(19)25;;/h2-5,8-11H,6-7,12-15H2,1H3,(H2,26,28)(H2,27,29,32);2*1H.

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

1-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]-3-(2-chlorophenyl)urea;molecular hydrogen has a molecular weight of 471.01 g/mol, XLogP of 5.10, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]-3-(2-chlorophenyl)urea;molecular hydrogen is sourced from PubChem (CID 159994347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).