8-fluoro-6-[5-(2-fluorophenyl)-1,2,4-triazin-6-yl]-4-methylquinoline

C₁₉H₁₂F₂N₄ — CID 166666172

About 8-fluoro-6-[5-(2-fluorophenyl)-1,2,4-triazin-6-yl]-4-methylquinoline

8-fluoro-6-[5-(2-fluorophenyl)-1,2,4-triazin-6-yl]-4-methylquinoline (PubChem CID 166666172) has the molecular formula C₁₉H₁₂F₂N₄ and a molecular weight of 334.33 g/mol. Its IUPAC name is 8-fluoro-6-[5-(2-fluorophenyl)-1,2,4-triazin-6-yl]-4-methylquinoline.

Molecular Properties

• Compound Name: 8-fluoro-6-[5-(2-fluorophenyl)-1,2,4-triazin-6-yl]-4-methylquinoline
• PubChem CID: 166666172
• Molecular Formula: C₁₉H₁₂F₂N₄
• Molecular Weight: 334.33 g/mol
• Exact Mass: 334.10
• IUPAC Name: 8-fluoro-6-[5-(2-fluorophenyl)-1,2,4-triazin-6-yl]-4-methylquinoline
• SMILES: Cc1ccnc2c(F)cc(-c3nncnc3-c3ccccc3F)cc12
• InChI: InChI=1S/C19H12F2N4/c1-11-6-7-22-18-14(11)8-12(9-16(18)21)17-19(23-10-24-25-17)13-4-2-3-5-15(13)20/h2-10H,1H3
• InChIKey: ADGMOFTWVCMPMJ-UHFFFAOYSA-N
• XLogP: 4.34
• TPSA: 51.56 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	334.33
LogP ≤ 5	4.34
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-6-[5-(2-fluorophenyl)-1,2,4-triazin-6-yl]-4-methylquinoline?

The IUPAC name of 8-fluoro-6-[5-(2-fluorophenyl)-1,2,4-triazin-6-yl]-4-methylquinoline (CID 166666172) is 8-fluoro-6-[5-(2-fluorophenyl)-1,2,4-triazin-6-yl]-4-methylquinoline.

What is the SMILES notation for 8-fluoro-6-[5-(2-fluorophenyl)-1,2,4-triazin-6-yl]-4-methylquinoline?

The canonical SMILES for 8-fluoro-6-[5-(2-fluorophenyl)-1,2,4-triazin-6-yl]-4-methylquinoline is Cc1ccnc2c(F)cc(-c3nncnc3-c3ccccc3F)cc12.

What is the InChIKey of 8-fluoro-6-[5-(2-fluorophenyl)-1,2,4-triazin-6-yl]-4-methylquinoline?

The InChIKey is ADGMOFTWVCMPMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F2N4/c1-11-6-7-22-18-14(11)8-12(9-16(18)21)17-19(23-10-24-25-17)13-4-2-3-5-15(13)20/h2-10H,1H3.

What are the key properties of 8-fluoro-6-[5-(2-fluorophenyl)-1,2,4-triazin-6-yl]-4-methylquinoline?

8-fluoro-6-[5-(2-fluorophenyl)-1,2,4-triazin-6-yl]-4-methylquinoline has a molecular weight of 334.33 g/mol, XLogP of 4.34, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 8-fluoro-6-[5-(2-fluorophenyl)-1,2,4-triazin-6-yl]-4-methylquinoline is sourced from PubChem (CID 166666172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 166666172 — identifiers, structure, computed properties (public domain)

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