1-[4-(4-amino-2-ethyl-8-phenylmethoxyimidazo[4,5-c]quinolin-1-yl)butyl]-1-phenylurea

C30H32N6O2 — CID 68970171

About 1-[4-(4-amino-2-ethyl-8-phenylmethoxyimidazo[4,5-c]quinolin-1-yl)butyl]-1-phenylurea

1-[4-(4-amino-2-ethyl-8-phenylmethoxyimidazo[4,5-c]quinolin-1-yl)butyl]-1-phenylurea (PubChem CID 68970171) has the molecular formula C30H32N6O2 and a molecular weight of 508.63 g/mol. Its IUPAC name is 1-[4-(4-amino-2-ethyl-8-phenylmethoxyimidazo[4,5-c]quinolin-1-yl)butyl]-1-phenylurea.

Molecular Properties

• Compound Name: 1-[4-(4-amino-2-ethyl-8-phenylmethoxyimidazo[4,5-c]quinolin-1-yl)butyl]-1-phenylurea
• PubChem CID: 68970171
• Molecular Formula: C30H32N6O2
• Molecular Weight: 508.63 g/mol
• Exact Mass: 508.26
• IUPAC Name: 1-[4-(4-amino-2-ethyl-8-phenylmethoxyimidazo[4,5-c]quinolin-1-yl)butyl]-1-phenylurea
• SMILES: CCc1nc2c(N)nc3ccc(OCc4ccccc4)cc3c2n1CCCCN(C(N)=O)c1ccccc1
• InChI: InChI=1S/C30H32N6O2/c1-2-26-34-27-28(36(26)18-10-9-17-35(30(32)37)22-13-7-4-8-14-22)24-19-23(15-16-25(24)33-29(27)31)38-20-21-11-5-3-6-12-21/h3-8,11-16,19H,2,9-10,17-18,20H2,1H3,(H2,31,33)(H2,32,37)
• InChIKey: VOXHJATUNSZDCK-UHFFFAOYSA-N
• XLogP: 5.67
• TPSA: 112.29 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	508.63
LogP ≤ 5	5.67
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 1-[4-(4-amino-2-ethyl-8-phenylmethoxyimidazo[4,5-c]quinolin-1-yl)butyl]-1-phenylurea?

The IUPAC name of 1-[4-(4-amino-2-ethyl-8-phenylmethoxyimidazo[4,5-c]quinolin-1-yl)butyl]-1-phenylurea (CID 68970171) is 1-[4-(4-amino-2-ethyl-8-phenylmethoxyimidazo[4,5-c]quinolin-1-yl)butyl]-1-phenylurea.

What is the SMILES notation for 1-[4-(4-amino-2-ethyl-8-phenylmethoxyimidazo[4,5-c]quinolin-1-yl)butyl]-1-phenylurea?

The canonical SMILES for 1-[4-(4-amino-2-ethyl-8-phenylmethoxyimidazo[4,5-c]quinolin-1-yl)butyl]-1-phenylurea is CCc1nc2c(N)nc3ccc(OCc4ccccc4)cc3c2n1CCCCN(C(N)=O)c1ccccc1.

What is the InChIKey of 1-[4-(4-amino-2-ethyl-8-phenylmethoxyimidazo[4,5-c]quinolin-1-yl)butyl]-1-phenylurea?

The InChIKey is VOXHJATUNSZDCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N6O2/c1-2-26-34-27-28(36(26)18-10-9-17-35(30(32)37)22-13-7-4-8-14-22)24-19-23(15-16-25(24)33-29(27)31)38-20-21-11-5-3-6-12-21/h3-8,11-16,19H,2,9-10,17-18,20H2,1H3,(H2,31,33)(H2,32,37).

What are the key properties of 1-[4-(4-amino-2-ethyl-8-phenylmethoxyimidazo[4,5-c]quinolin-1-yl)butyl]-1-phenylurea?

1-[4-(4-amino-2-ethyl-8-phenylmethoxyimidazo[4,5-c]quinolin-1-yl)butyl]-1-phenylurea has a molecular weight of 508.63 g/mol, XLogP of 5.67, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-(4-amino-2-ethyl-8-phenylmethoxyimidazo[4,5-c]quinolin-1-yl)butyl]-1-phenylurea is sourced from PubChem (CID 68970171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).