4-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethylamino]quinoline-3-carbonitrile

C₁₇H₁₈N₄ — CID 107489421

About 4-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethylamino]quinoline-3-carbonitrile

4-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethylamino]quinoline-3-carbonitrile (PubChem CID 107489421) has the molecular formula C₁₇H₁₈N₄ and a molecular weight of 278.36 g/mol. Its IUPAC name is 4-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethylamino]quinoline-3-carbonitrile.

Molecular Properties

• Compound Name: 4-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethylamino]quinoline-3-carbonitrile
• PubChem CID: 107489421
• Molecular Formula: C₁₇H₁₈N₄
• Molecular Weight: 278.36 g/mol
• Exact Mass: 278.15
• IUPAC Name: 4-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethylamino]quinoline-3-carbonitrile
• SMILES: N#Cc1cnc2ccccc2c1NCCC1=CCNCC1
• InChI: InChI=1S/C17H18N4/c18-11-14-12-21-16-4-2-1-3-15(16)17(14)20-10-7-13-5-8-19-9-6-13/h1-5,12,19H,6-10H2,(H,20,21)
• InChIKey: SNLONEBBOSDZHG-UHFFFAOYSA-N
• XLogP: 2.83
• TPSA: 60.74 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	278.36
LogP ≤ 5	2.83
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethylamino]quinoline-3-carbonitrile?

The IUPAC name of 4-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethylamino]quinoline-3-carbonitrile (CID 107489421) is 4-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethylamino]quinoline-3-carbonitrile.

What is the SMILES notation for 4-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethylamino]quinoline-3-carbonitrile?

The canonical SMILES for 4-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethylamino]quinoline-3-carbonitrile is N#Cc1cnc2ccccc2c1NCCC1=CCNCC1.

What is the InChIKey of 4-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethylamino]quinoline-3-carbonitrile?

The InChIKey is SNLONEBBOSDZHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4/c18-11-14-12-21-16-4-2-1-3-15(16)17(14)20-10-7-13-5-8-19-9-6-13/h1-5,12,19H,6-10H2,(H,20,21).

What are the key properties of 4-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethylamino]quinoline-3-carbonitrile?

4-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethylamino]quinoline-3-carbonitrile has a molecular weight of 278.36 g/mol, XLogP of 2.83, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethylamino]quinoline-3-carbonitrile is sourced from PubChem (CID 107489421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 107489421 — identifiers, structure, computed properties (public domain)

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