2-(5,7-dichloro-2-methylquinolin-8-yl)oxy-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone

C21H17Cl2N3O2 — CID 47013845

About 2-(5,7-dichloro-2-methylquinolin-8-yl)oxy-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone

2-(5,7-dichloro-2-methylquinolin-8-yl)oxy-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone (PubChem CID 47013845) has the molecular formula C21H17Cl2N3O2 and a molecular weight of 414.29 g/mol. Its IUPAC name is 2-(5,7-dichloro-2-methylquinolin-8-yl)oxy-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone.

Molecular Properties

• Compound Name: 2-(5,7-dichloro-2-methylquinolin-8-yl)oxy-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone
• PubChem CID: 47013845
• Molecular Formula: C21H17Cl2N3O2
• Molecular Weight: 414.29 g/mol
• Exact Mass: 413.07
• IUPAC Name: 2-(5,7-dichloro-2-methylquinolin-8-yl)oxy-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone
• SMILES: Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)N3CCC(c4ccccc4)=N3)c2n1
• InChI: InChI=1S/C21H17Cl2N3O2/c1-13-7-8-15-16(22)11-17(23)21(20(15)24-13)28-12-19(27)26-10-9-18(25-26)14-5-3-2-4-6-14/h2-8,11H,9-10,12H2,1H3
• InChIKey: WPMZPUGYBMPCSN-UHFFFAOYSA-N
• XLogP: 4.87
• TPSA: 54.79 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	414.29
LogP ≤ 5	4.87
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-(5,7-dichloro-2-methylquinolin-8-yl)oxy-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone?

The IUPAC name of 2-(5,7-dichloro-2-methylquinolin-8-yl)oxy-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone (CID 47013845) is 2-(5,7-dichloro-2-methylquinolin-8-yl)oxy-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone.

What is the SMILES notation for 2-(5,7-dichloro-2-methylquinolin-8-yl)oxy-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone?

The canonical SMILES for 2-(5,7-dichloro-2-methylquinolin-8-yl)oxy-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone is Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)N3CCC(c4ccccc4)=N3)c2n1.

What is the InChIKey of 2-(5,7-dichloro-2-methylquinolin-8-yl)oxy-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone?

The InChIKey is WPMZPUGYBMPCSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17Cl2N3O2/c1-13-7-8-15-16(22)11-17(23)21(20(15)24-13)28-12-19(27)26-10-9-18(25-26)14-5-3-2-4-6-14/h2-8,11H,9-10,12H2,1H3.

What are the key properties of 2-(5,7-dichloro-2-methylquinolin-8-yl)oxy-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone?

2-(5,7-dichloro-2-methylquinolin-8-yl)oxy-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone has a molecular weight of 414.29 g/mol, XLogP of 4.87, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(5,7-dichloro-2-methylquinolin-8-yl)oxy-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone is sourced from PubChem (CID 47013845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).