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

C₂₂H₁₇N₅ — CID 86766655

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

6-(4-aminophenyl)-N-(1H-indazol-4-yl)quinolin-4-amine (PubChem CID 86766655) has the molecular formula C₂₂H₁₇N₅ and a molecular weight of 351.41 g/mol. Its IUPAC name is 6-(4-aminophenyl)-N-(1H-indazol-4-yl)quinolin-4-amine.

Molecular Properties

• Compound Name: 6-(4-aminophenyl)-N-(1H-indazol-4-yl)quinolin-4-amine
• PubChem CID: 86766655
• Molecular Formula: C₂₂H₁₇N₅
• Molecular Weight: 351.41 g/mol
• Exact Mass: 351.15
• IUPAC Name: 6-(4-aminophenyl)-N-(1H-indazol-4-yl)quinolin-4-amine
• SMILES: Nc1ccc(-c2ccc3nccc(Nc4cccc5[nH]ncc45)c3c2)cc1
• InChI: InChI=1S/C22H17N5/c23-16-7-4-14(5-8-16)15-6-9-19-17(12-15)21(10-11-24-19)26-20-2-1-3-22-18(20)13-25-27-22/h1-13H,23H2,(H,24,26)(H,25,27)
• InChIKey: RJMLEEWCSBNXDE-UHFFFAOYSA-N
• XLogP: 5.10
• TPSA: 79.62 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	351.41
LogP ≤ 5	5.10
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of 6-(4-aminophenyl)-N-(1H-indazol-4-yl)quinolin-4-amine (CID 86766655) is 6-(4-aminophenyl)-N-(1H-indazol-4-yl)quinolin-4-amine.

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

The canonical SMILES for 6-(4-aminophenyl)-N-(1H-indazol-4-yl)quinolin-4-amine is Nc1ccc(-c2ccc3nccc(Nc4cccc5[nH]ncc45)c3c2)cc1.

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

The InChIKey is RJMLEEWCSBNXDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N5/c23-16-7-4-14(5-8-16)15-6-9-19-17(12-15)21(10-11-24-19)26-20-2-1-3-22-18(20)13-25-27-22/h1-13H,23H2,(H,24,26)(H,25,27).

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

6-(4-aminophenyl)-N-(1H-indazol-4-yl)quinolin-4-amine has a molecular weight of 351.41 g/mol, XLogP of 5.10, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(4-aminophenyl)-N-(1H-indazol-4-yl)quinolin-4-amine is sourced from PubChem (CID 86766655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 86766655 — identifiers, structure, computed properties (public domain)

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