7-hydroxy-6-[6-[methyl-(1,2,5-trimethyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]pyridazin-3-yl]quinoline-2-carboxamide

C26H32N6O2 — CID 155649845

About 7-hydroxy-6-[6-[methyl-(1,2,5-trimethyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]pyridazin-3-yl]quinoline-2-carboxamide

7-hydroxy-6-[6-[methyl-(1,2,5-trimethyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]pyridazin-3-yl]quinoline-2-carboxamide (PubChem CID 155649845) has the molecular formula C26H32N6O2 and a molecular weight of 460.58 g/mol. Its IUPAC name is 7-hydroxy-6-[6-[methyl-(1,2,5-trimethyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]pyridazin-3-yl]quinoline-2-carboxamide.

Molecular Properties

• Compound Name: 7-hydroxy-6-[6-[methyl-(1,2,5-trimethyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]pyridazin-3-yl]quinoline-2-carboxamide
• PubChem CID: 155649845
• Molecular Formula: C26H32N6O2
• Molecular Weight: 460.58 g/mol
• Exact Mass: 460.26
• IUPAC Name: 7-hydroxy-6-[6-[methyl-(1,2,5-trimethyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]pyridazin-3-yl]quinoline-2-carboxamide
• SMILES: CC1C(N(C)c2ccc(-c3cc4ccc(C(N)=O)nc4cc3O)nn2)CC2(C)CCCC1(C)N2
• InChI: InChI=1S/C26H32N6O2/c1-15-21(14-25(2)10-5-11-26(15,3)31-25)32(4)23-9-8-18(29-30-23)17-12-16-6-7-19(24(27)34)28-20(16)13-22(17)33/h6-9,12-13,15,21,31,33H,5,10-11,14H2,1-4H3,(H2,27,34)
• InChIKey: HHSXMGXFSHVERZ-UHFFFAOYSA-N
• XLogP: 3.63
• TPSA: 117.26 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	460.58
LogP ≤ 5	3.63
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-6-[6-[methyl-(1,2,5-trimethyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]pyridazin-3-yl]quinoline-2-carboxamide?

The IUPAC name of 7-hydroxy-6-[6-[methyl-(1,2,5-trimethyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]pyridazin-3-yl]quinoline-2-carboxamide (CID 155649845) is 7-hydroxy-6-[6-[methyl-(1,2,5-trimethyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]pyridazin-3-yl]quinoline-2-carboxamide.

What is the SMILES notation for 7-hydroxy-6-[6-[methyl-(1,2,5-trimethyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]pyridazin-3-yl]quinoline-2-carboxamide?

The canonical SMILES for 7-hydroxy-6-[6-[methyl-(1,2,5-trimethyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]pyridazin-3-yl]quinoline-2-carboxamide is CC1C(N(C)c2ccc(-c3cc4ccc(C(N)=O)nc4cc3O)nn2)CC2(C)CCCC1(C)N2.

What is the InChIKey of 7-hydroxy-6-[6-[methyl-(1,2,5-trimethyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]pyridazin-3-yl]quinoline-2-carboxamide?

The InChIKey is HHSXMGXFSHVERZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N6O2/c1-15-21(14-25(2)10-5-11-26(15,3)31-25)32(4)23-9-8-18(29-30-23)17-12-16-6-7-19(24(27)34)28-20(16)13-22(17)33/h6-9,12-13,15,21,31,33H,5,10-11,14H2,1-4H3,(H2,27,34).

What are the key properties of 7-hydroxy-6-[6-[methyl-(1,2,5-trimethyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]pyridazin-3-yl]quinoline-2-carboxamide?

7-hydroxy-6-[6-[methyl-(1,2,5-trimethyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]pyridazin-3-yl]quinoline-2-carboxamide has a molecular weight of 460.58 g/mol, XLogP of 3.63, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 7-hydroxy-6-[6-[methyl-(1,2,5-trimethyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]pyridazin-3-yl]quinoline-2-carboxamide is sourced from PubChem (CID 155649845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).