(6-chloroimidazo[1,2-b]pyridazin-3-yl)-quinolin-6-ylmethanone;1-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-2,2,2-trifluoro-1-quinolin-6-ylethanol

C33H19Cl2F3N8O2 — CID 131731817

About (6-chloroimidazo[1,2-b]pyridazin-3-yl)-quinolin-6-ylmethanone;1-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-2,2,2-trifluoro-1-quinolin-6-ylethanol

(6-chloroimidazo[1,2-b]pyridazin-3-yl)-quinolin-6-ylmethanone;1-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-2,2,2-trifluoro-1-quinolin-6-ylethanol (PubChem CID 131731817) has the molecular formula C33H19Cl2F3N8O2 and a molecular weight of 687.47 g/mol. Its IUPAC name is (6-chloroimidazo[1,2-b]pyridazin-3-yl)-quinolin-6-ylmethanone;1-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-2,2,2-trifluoro-1-quinolin-6-ylethanol.

Molecular Properties

• Compound Name: (6-chloroimidazo[1,2-b]pyridazin-3-yl)-quinolin-6-ylmethanone;1-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-2,2,2-trifluoro-1-quinolin-6-ylethanol
• PubChem CID: 131731817
• Molecular Formula: C33H19Cl2F3N8O2
• Molecular Weight: 687.47 g/mol
• Exact Mass: 686.10
• IUPAC Name: (6-chloroimidazo[1,2-b]pyridazin-3-yl)-quinolin-6-ylmethanone;1-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-2,2,2-trifluoro-1-quinolin-6-ylethanol
• SMILES: O=C(c1ccc2ncccc2c1)c1cnc2ccc(Cl)nn12.OC(c1ccc2ncccc2c1)(c1cnc2ccc(Cl)nn12)C(F)(F)F
• InChI: InChI=1S/C17H10ClF3N4O.C16H9ClN4O/c18-14-5-6-15-23-9-13(25(15)24-14)16(26,17(19,20)21)11-3-4-12-10(8-11)2-1-7-22-12;17-14-5-6-15-19-9-13(21(15)20-14)16(22)11-3-4-12-10(8-11)2-1-7-18-12/h1-9,26H;1-9H
• InChIKey: KKWJPYZKXRUMFE-UHFFFAOYSA-N
• XLogP: 6.89
• TPSA: 123.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 4
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	687.47
LogP ≤ 5	6.89
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of (6-chloroimidazo[1,2-b]pyridazin-3-yl)-quinolin-6-ylmethanone;1-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-2,2,2-trifluoro-1-quinolin-6-ylethanol?

The IUPAC name of (6-chloroimidazo[1,2-b]pyridazin-3-yl)-quinolin-6-ylmethanone;1-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-2,2,2-trifluoro-1-quinolin-6-ylethanol (CID 131731817) is (6-chloroimidazo[1,2-b]pyridazin-3-yl)-quinolin-6-ylmethanone;1-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-2,2,2-trifluoro-1-quinolin-6-ylethanol.

What is the SMILES notation for (6-chloroimidazo[1,2-b]pyridazin-3-yl)-quinolin-6-ylmethanone;1-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-2,2,2-trifluoro-1-quinolin-6-ylethanol?

The canonical SMILES for (6-chloroimidazo[1,2-b]pyridazin-3-yl)-quinolin-6-ylmethanone;1-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-2,2,2-trifluoro-1-quinolin-6-ylethanol is O=C(c1ccc2ncccc2c1)c1cnc2ccc(Cl)nn12.OC(c1ccc2ncccc2c1)(c1cnc2ccc(Cl)nn12)C(F)(F)F.

What is the InChIKey of (6-chloroimidazo[1,2-b]pyridazin-3-yl)-quinolin-6-ylmethanone;1-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-2,2,2-trifluoro-1-quinolin-6-ylethanol?

The InChIKey is KKWJPYZKXRUMFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10ClF3N4O.C16H9ClN4O/c18-14-5-6-15-23-9-13(25(15)24-14)16(26,17(19,20)21)11-3-4-12-10(8-11)2-1-7-22-12;17-14-5-6-15-19-9-13(21(15)20-14)16(22)11-3-4-12-10(8-11)2-1-7-18-12/h1-9,26H;1-9H.

What are the key properties of (6-chloroimidazo[1,2-b]pyridazin-3-yl)-quinolin-6-ylmethanone;1-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-2,2,2-trifluoro-1-quinolin-6-ylethanol?

(6-chloroimidazo[1,2-b]pyridazin-3-yl)-quinolin-6-ylmethanone;1-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-2,2,2-trifluoro-1-quinolin-6-ylethanol has a molecular weight of 687.47 g/mol, XLogP of 6.89, 4 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for (6-chloroimidazo[1,2-b]pyridazin-3-yl)-quinolin-6-ylmethanone;1-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-2,2,2-trifluoro-1-quinolin-6-ylethanol is sourced from PubChem (CID 131731817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).