6-(2-fluorophenyl)-N-(1H-indazol-4-yl)quinolin-4-amine

C₂₂H₁₅FN₄ — CID 86766659

About 6-(2-fluorophenyl)-N-(1H-indazol-4-yl)quinolin-4-amine

6-(2-fluorophenyl)-N-(1H-indazol-4-yl)quinolin-4-amine (PubChem CID 86766659) has the molecular formula C₂₂H₁₅FN₄ and a molecular weight of 354.39 g/mol. Its IUPAC name is 6-(2-fluorophenyl)-N-(1H-indazol-4-yl)quinolin-4-amine.

Molecular Properties

• Compound Name: 6-(2-fluorophenyl)-N-(1H-indazol-4-yl)quinolin-4-amine
• PubChem CID: 86766659
• Molecular Formula: C₂₂H₁₅FN₄
• Molecular Weight: 354.39 g/mol
• Exact Mass: 354.13
• IUPAC Name: 6-(2-fluorophenyl)-N-(1H-indazol-4-yl)quinolin-4-amine
• SMILES: Fc1ccccc1-c1ccc2nccc(Nc3cccc4[nH]ncc34)c2c1
• InChI: InChI=1S/C22H15FN4/c23-18-5-2-1-4-15(18)14-8-9-19-16(12-14)21(10-11-24-19)26-20-6-3-7-22-17(20)13-25-27-22/h1-13H,(H,24,26)(H,25,27)
• InChIKey: URJKXHQBSGCFJP-UHFFFAOYSA-N
• XLogP: 5.66
• TPSA: 53.60 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	354.39
LogP ≤ 5	5.66
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 6-(2-fluorophenyl)-N-(1H-indazol-4-yl)quinolin-4-amine?

The IUPAC name of 6-(2-fluorophenyl)-N-(1H-indazol-4-yl)quinolin-4-amine (CID 86766659) is 6-(2-fluorophenyl)-N-(1H-indazol-4-yl)quinolin-4-amine.

What is the SMILES notation for 6-(2-fluorophenyl)-N-(1H-indazol-4-yl)quinolin-4-amine?

The canonical SMILES for 6-(2-fluorophenyl)-N-(1H-indazol-4-yl)quinolin-4-amine is Fc1ccccc1-c1ccc2nccc(Nc3cccc4[nH]ncc34)c2c1.

What is the InChIKey of 6-(2-fluorophenyl)-N-(1H-indazol-4-yl)quinolin-4-amine?

The InChIKey is URJKXHQBSGCFJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15FN4/c23-18-5-2-1-4-15(18)14-8-9-19-16(12-14)21(10-11-24-19)26-20-6-3-7-22-17(20)13-25-27-22/h1-13H,(H,24,26)(H,25,27).

What are the key properties of 6-(2-fluorophenyl)-N-(1H-indazol-4-yl)quinolin-4-amine?

6-(2-fluorophenyl)-N-(1H-indazol-4-yl)quinolin-4-amine has a molecular weight of 354.39 g/mol, XLogP of 5.66, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(2-fluorophenyl)-N-(1H-indazol-4-yl)quinolin-4-amine is sourced from PubChem (CID 86766659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 86766659 — identifiers, structure, computed properties (public domain)

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