2-(5-methoxy-1H-indol-3-yl)-N-[(5-quinolin-3-ylfuran-2-yl)methyl]ethanamine

C₂₅H₂₃N₃O₂ — CID 155519393

About 2-(5-methoxy-1H-indol-3-yl)-N-[(5-quinolin-3-ylfuran-2-yl)methyl]ethanamine

2-(5-methoxy-1H-indol-3-yl)-N-[(5-quinolin-3-ylfuran-2-yl)methyl]ethanamine (PubChem CID 155519393) has the molecular formula C₂₅H₂₃N₃O₂ and a molecular weight of 397.48 g/mol. Its IUPAC name is 2-(5-methoxy-1H-indol-3-yl)-N-[(5-quinolin-3-ylfuran-2-yl)methyl]ethanamine.

Molecular Properties

• Compound Name: 2-(5-methoxy-1H-indol-3-yl)-N-[(5-quinolin-3-ylfuran-2-yl)methyl]ethanamine
• PubChem CID: 155519393
• Molecular Formula: C₂₅H₂₃N₃O₂
• Molecular Weight: 397.48 g/mol
• Exact Mass: 397.18
• IUPAC Name: 2-(5-methoxy-1H-indol-3-yl)-N-[(5-quinolin-3-ylfuran-2-yl)methyl]ethanamine
• SMILES: COc1ccc2[nH]cc(CCNCc3ccc(-c4cnc5ccccc5c4)o3)c2c1
• InChI: InChI=1S/C25H23N3O2/c1-29-20-6-8-24-22(13-20)18(14-28-24)10-11-26-16-21-7-9-25(30-21)19-12-17-4-2-3-5-23(17)27-15-19/h2-9,12-15,26,28H,10-11,16H2,1H3
• InChIKey: LDFDHYVHCWAUGE-UHFFFAOYSA-N
• XLogP: 5.32
• TPSA: 63.08 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	397.48
LogP ≤ 5	5.32
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(5-methoxy-1H-indol-3-yl)-N-[(5-quinolin-3-ylfuran-2-yl)methyl]ethanamine?

The IUPAC name of 2-(5-methoxy-1H-indol-3-yl)-N-[(5-quinolin-3-ylfuran-2-yl)methyl]ethanamine (CID 155519393) is 2-(5-methoxy-1H-indol-3-yl)-N-[(5-quinolin-3-ylfuran-2-yl)methyl]ethanamine.

What is the SMILES notation for 2-(5-methoxy-1H-indol-3-yl)-N-[(5-quinolin-3-ylfuran-2-yl)methyl]ethanamine?

The canonical SMILES for 2-(5-methoxy-1H-indol-3-yl)-N-[(5-quinolin-3-ylfuran-2-yl)methyl]ethanamine is COc1ccc2[nH]cc(CCNCc3ccc(-c4cnc5ccccc5c4)o3)c2c1.

What is the InChIKey of 2-(5-methoxy-1H-indol-3-yl)-N-[(5-quinolin-3-ylfuran-2-yl)methyl]ethanamine?

The InChIKey is LDFDHYVHCWAUGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O2/c1-29-20-6-8-24-22(13-20)18(14-28-24)10-11-26-16-21-7-9-25(30-21)19-12-17-4-2-3-5-23(17)27-15-19/h2-9,12-15,26,28H,10-11,16H2,1H3.

What are the key properties of 2-(5-methoxy-1H-indol-3-yl)-N-[(5-quinolin-3-ylfuran-2-yl)methyl]ethanamine?

2-(5-methoxy-1H-indol-3-yl)-N-[(5-quinolin-3-ylfuran-2-yl)methyl]ethanamine has a molecular weight of 397.48 g/mol, XLogP of 5.32, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(5-methoxy-1H-indol-3-yl)-N-[(5-quinolin-3-ylfuran-2-yl)methyl]ethanamine is sourced from PubChem (CID 155519393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 155519393 — identifiers, structure, computed properties (public domain)

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