6-(4-cyanophenoxy)-N-(3-piperidin-1-ylpropyl)quinoline-2-carboxamide

C₂₅H₂₆N₄O₂ — CID 118273925

About 6-(4-cyanophenoxy)-N-(3-piperidin-1-ylpropyl)quinoline-2-carboxamide

6-(4-cyanophenoxy)-N-(3-piperidin-1-ylpropyl)quinoline-2-carboxamide (PubChem CID 118273925) has the molecular formula C₂₅H₂₆N₄O₂ and a molecular weight of 414.51 g/mol. Its IUPAC name is 6-(4-cyanophenoxy)-N-(3-piperidin-1-ylpropyl)quinoline-2-carboxamide.

Molecular Properties

• Compound Name: 6-(4-cyanophenoxy)-N-(3-piperidin-1-ylpropyl)quinoline-2-carboxamide
• PubChem CID: 118273925
• Molecular Formula: C₂₅H₂₆N₄O₂
• Molecular Weight: 414.51 g/mol
• Exact Mass: 414.21
• IUPAC Name: 6-(4-cyanophenoxy)-N-(3-piperidin-1-ylpropyl)quinoline-2-carboxamide
• SMILES: N#Cc1ccc(Oc2ccc3nc(C(=O)NCCCN4CCCCC4)ccc3c2)cc1
• InChI: InChI=1S/C25H26N4O2/c26-18-19-5-8-21(9-6-19)31-22-10-12-23-20(17-22)7-11-24(28-23)25(30)27-13-4-16-29-14-2-1-3-15-29/h5-12,17H,1-4,13-16H2,(H,27,30)
• InChIKey: SBDUDRDGZVRQBY-UHFFFAOYSA-N
• XLogP: 4.50
• TPSA: 78.25 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	414.51
LogP ≤ 5	4.50
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-(4-cyanophenoxy)-N-(3-piperidin-1-ylpropyl)quinoline-2-carboxamide?

The IUPAC name of 6-(4-cyanophenoxy)-N-(3-piperidin-1-ylpropyl)quinoline-2-carboxamide (CID 118273925) is 6-(4-cyanophenoxy)-N-(3-piperidin-1-ylpropyl)quinoline-2-carboxamide.

What is the SMILES notation for 6-(4-cyanophenoxy)-N-(3-piperidin-1-ylpropyl)quinoline-2-carboxamide?

The canonical SMILES for 6-(4-cyanophenoxy)-N-(3-piperidin-1-ylpropyl)quinoline-2-carboxamide is N#Cc1ccc(Oc2ccc3nc(C(=O)NCCCN4CCCCC4)ccc3c2)cc1.

What is the InChIKey of 6-(4-cyanophenoxy)-N-(3-piperidin-1-ylpropyl)quinoline-2-carboxamide?

The InChIKey is SBDUDRDGZVRQBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O2/c26-18-19-5-8-21(9-6-19)31-22-10-12-23-20(17-22)7-11-24(28-23)25(30)27-13-4-16-29-14-2-1-3-15-29/h5-12,17H,1-4,13-16H2,(H,27,30).

What are the key properties of 6-(4-cyanophenoxy)-N-(3-piperidin-1-ylpropyl)quinoline-2-carboxamide?

6-(4-cyanophenoxy)-N-(3-piperidin-1-ylpropyl)quinoline-2-carboxamide has a molecular weight of 414.51 g/mol, XLogP of 4.50, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(4-cyanophenoxy)-N-(3-piperidin-1-ylpropyl)quinoline-2-carboxamide is sourced from PubChem (CID 118273925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 118273925 — identifiers, structure, computed properties (public domain)

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