3-imidazol-1-yl-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol

C26H31N7O — CID 136607545

About 3-imidazol-1-yl-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol

3-imidazol-1-yl-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol (PubChem CID 136607545) has the molecular formula C26H31N7O and a molecular weight of 457.58 g/mol. Its IUPAC name is 3-imidazol-1-yl-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol.

Molecular Properties

• Compound Name: 3-imidazol-1-yl-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol
• PubChem CID: 136607545
• Molecular Formula: C26H31N7O
• Molecular Weight: 457.58 g/mol
• Exact Mass: 457.26
• IUPAC Name: 3-imidazol-1-yl-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol
• SMILES: CN(c1ccc(-c2cc3cc(-n4ccnc4)cnc3cc2O)nn1)C1CC(C)(C)NC(C)(C)C1
• InChI: InChI=1S/C26H31N7O/c1-25(2)13-19(14-26(3,4)31-25)32(5)24-7-6-21(29-30-24)20-11-17-10-18(33-9-8-27-16-33)15-28-22(17)12-23(20)34/h6-12,15-16,19,31,34H,13-14H2,1-5H3
• InChIKey: JHAVFFZXDSZQQG-UHFFFAOYSA-N
• XLogP: 4.33
• TPSA: 91.99 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	457.58
LogP ≤ 5	4.33
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 3-imidazol-1-yl-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol?

The IUPAC name of 3-imidazol-1-yl-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol (CID 136607545) is 3-imidazol-1-yl-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol.

What is the SMILES notation for 3-imidazol-1-yl-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol?

The canonical SMILES for 3-imidazol-1-yl-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol is CN(c1ccc(-c2cc3cc(-n4ccnc4)cnc3cc2O)nn1)C1CC(C)(C)NC(C)(C)C1.

What is the InChIKey of 3-imidazol-1-yl-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol?

The InChIKey is JHAVFFZXDSZQQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N7O/c1-25(2)13-19(14-26(3,4)31-25)32(5)24-7-6-21(29-30-24)20-11-17-10-18(33-9-8-27-16-33)15-28-22(17)12-23(20)34/h6-12,15-16,19,31,34H,13-14H2,1-5H3.

What are the key properties of 3-imidazol-1-yl-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol?

3-imidazol-1-yl-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol has a molecular weight of 457.58 g/mol, XLogP of 4.33, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-imidazol-1-yl-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol is sourced from PubChem (CID 136607545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).