7-hydroxy-2-methyl-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinoline-4-carbonitrile

C25H30N6O — CID 136607568

About 7-hydroxy-2-methyl-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinoline-4-carbonitrile

7-hydroxy-2-methyl-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinoline-4-carbonitrile (PubChem CID 136607568) has the molecular formula C25H30N6O and a molecular weight of 430.56 g/mol. Its IUPAC name is 7-hydroxy-2-methyl-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinoline-4-carbonitrile.

Molecular Properties

• Compound Name: 7-hydroxy-2-methyl-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinoline-4-carbonitrile
• PubChem CID: 136607568
• Molecular Formula: C25H30N6O
• Molecular Weight: 430.56 g/mol
• Exact Mass: 430.25
• IUPAC Name: 7-hydroxy-2-methyl-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinoline-4-carbonitrile
• SMILES: Cc1cc(C#N)c2cc(-c3ccc(N(C)C4CC(C)(C)NC(C)(C)C4)nn3)c(O)cc2n1
• InChI: InChI=1S/C25H30N6O/c1-15-9-16(14-26)18-10-19(22(32)11-21(18)27-15)20-7-8-23(29-28-20)31(6)17-12-24(2,3)30-25(4,5)13-17/h7-11,17,30,32H,12-13H2,1-6H3
• InChIKey: HIAULMCKQNQJEP-UHFFFAOYSA-N
• XLogP: 4.32
• TPSA: 97.96 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	430.56
LogP ≤ 5	4.32
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-2-methyl-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinoline-4-carbonitrile?

The IUPAC name of 7-hydroxy-2-methyl-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinoline-4-carbonitrile (CID 136607568) is 7-hydroxy-2-methyl-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinoline-4-carbonitrile.

What is the SMILES notation for 7-hydroxy-2-methyl-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinoline-4-carbonitrile?

The canonical SMILES for 7-hydroxy-2-methyl-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinoline-4-carbonitrile is Cc1cc(C#N)c2cc(-c3ccc(N(C)C4CC(C)(C)NC(C)(C)C4)nn3)c(O)cc2n1.

What is the InChIKey of 7-hydroxy-2-methyl-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinoline-4-carbonitrile?

The InChIKey is HIAULMCKQNQJEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N6O/c1-15-9-16(14-26)18-10-19(22(32)11-21(18)27-15)20-7-8-23(29-28-20)31(6)17-12-24(2,3)30-25(4,5)13-17/h7-11,17,30,32H,12-13H2,1-6H3.

What are the key properties of 7-hydroxy-2-methyl-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinoline-4-carbonitrile?

7-hydroxy-2-methyl-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinoline-4-carbonitrile has a molecular weight of 430.56 g/mol, XLogP of 4.32, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 7-hydroxy-2-methyl-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinoline-4-carbonitrile is sourced from PubChem (CID 136607568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).