2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]-8-[(1-methylpyrrolidin-3-yl)methoxy]quinoline

C25H28N4O3 — CID 59176341

About 2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]-8-[(1-methylpyrrolidin-3-yl)methoxy]quinoline

2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]-8-[(1-methylpyrrolidin-3-yl)methoxy]quinoline (PubChem CID 59176341) has the molecular formula C25H28N4O3 and a molecular weight of 432.52 g/mol. Its IUPAC name is 2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]-8-[(1-methylpyrrolidin-3-yl)methoxy]quinoline.

Molecular Properties

• Compound Name: 2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]-8-[(1-methylpyrrolidin-3-yl)methoxy]quinoline
• PubChem CID: 59176341
• Molecular Formula: C25H28N4O3
• Molecular Weight: 432.52 g/mol
• Exact Mass: 432.22
• IUPAC Name: 2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]-8-[(1-methylpyrrolidin-3-yl)methoxy]quinoline
• SMILES: COCCOc1ccn2c(-c3ccc4cccc(OCC5CCN(C)C5)c4n3)cnc2c1
• InChI: InChI=1S/C25H28N4O3/c1-28-10-8-18(16-28)17-32-23-5-3-4-19-6-7-21(27-25(19)23)22-15-26-24-14-20(9-11-29(22)24)31-13-12-30-2/h3-7,9,11,14-15,18H,8,10,12-13,16-17H2,1-2H3
• InChIKey: KPBBCDRZGUBDOM-UHFFFAOYSA-N
• XLogP: 3.91
• TPSA: 61.12 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	432.52
LogP ≤ 5	3.91
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]-8-[(1-methylpyrrolidin-3-yl)methoxy]quinoline?

The IUPAC name of 2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]-8-[(1-methylpyrrolidin-3-yl)methoxy]quinoline (CID 59176341) is 2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]-8-[(1-methylpyrrolidin-3-yl)methoxy]quinoline.

What is the SMILES notation for 2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]-8-[(1-methylpyrrolidin-3-yl)methoxy]quinoline?

The canonical SMILES for 2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]-8-[(1-methylpyrrolidin-3-yl)methoxy]quinoline is COCCOc1ccn2c(-c3ccc4cccc(OCC5CCN(C)C5)c4n3)cnc2c1.

What is the InChIKey of 2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]-8-[(1-methylpyrrolidin-3-yl)methoxy]quinoline?

The InChIKey is KPBBCDRZGUBDOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O3/c1-28-10-8-18(16-28)17-32-23-5-3-4-19-6-7-21(27-25(19)23)22-15-26-24-14-20(9-11-29(22)24)31-13-12-30-2/h3-7,9,11,14-15,18H,8,10,12-13,16-17H2,1-2H3.

What are the key properties of 2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]-8-[(1-methylpyrrolidin-3-yl)methoxy]quinoline?

2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]-8-[(1-methylpyrrolidin-3-yl)methoxy]quinoline has a molecular weight of 432.52 g/mol, XLogP of 3.91, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]-8-[(1-methylpyrrolidin-3-yl)methoxy]quinoline is sourced from PubChem (CID 59176341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).