3-(furan-2-yl)-4-piperidin-1-yl-2-quinolin-2-yl-3-thiophen-2-ylmorpholine

C₂₆H₂₇N₃O₂S — CID 141073613

About 3-(furan-2-yl)-4-piperidin-1-yl-2-quinolin-2-yl-3-thiophen-2-ylmorpholine

3-(furan-2-yl)-4-piperidin-1-yl-2-quinolin-2-yl-3-thiophen-2-ylmorpholine (PubChem CID 141073613) has the molecular formula C₂₆H₂₇N₃O₂S and a molecular weight of 445.59 g/mol. Its IUPAC name is 3-(furan-2-yl)-4-piperidin-1-yl-2-quinolin-2-yl-3-thiophen-2-ylmorpholine.

Molecular Properties

• Compound Name: 3-(furan-2-yl)-4-piperidin-1-yl-2-quinolin-2-yl-3-thiophen-2-ylmorpholine
• PubChem CID: 141073613
• Molecular Formula: C₂₆H₂₇N₃O₂S
• Molecular Weight: 445.59 g/mol
• Exact Mass: 445.18
• IUPAC Name: 3-(furan-2-yl)-4-piperidin-1-yl-2-quinolin-2-yl-3-thiophen-2-ylmorpholine
• SMILES: c1coc(C2(c3cccs3)C(c3ccc4ccccc4n3)OCCN2N2CCCCC2)c1
• InChI: InChI=1S/C26H27N3O2S/c1-4-14-28(15-5-1)29-16-18-31-25(22-13-12-20-8-2-3-9-21(20)27-22)26(29,23-10-6-17-30-23)24-11-7-19-32-24/h2-3,6-13,17,19,25H,1,4-5,14-16,18H2
• InChIKey: WLKPSONXUKWRJL-UHFFFAOYSA-N
• XLogP: 5.61
• TPSA: 41.74 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	445.59
LogP ≤ 5	5.61
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-4-piperidin-1-yl-2-quinolin-2-yl-3-thiophen-2-ylmorpholine?

The IUPAC name of 3-(furan-2-yl)-4-piperidin-1-yl-2-quinolin-2-yl-3-thiophen-2-ylmorpholine (CID 141073613) is 3-(furan-2-yl)-4-piperidin-1-yl-2-quinolin-2-yl-3-thiophen-2-ylmorpholine.

What is the SMILES notation for 3-(furan-2-yl)-4-piperidin-1-yl-2-quinolin-2-yl-3-thiophen-2-ylmorpholine?

The canonical SMILES for 3-(furan-2-yl)-4-piperidin-1-yl-2-quinolin-2-yl-3-thiophen-2-ylmorpholine is c1coc(C2(c3cccs3)C(c3ccc4ccccc4n3)OCCN2N2CCCCC2)c1.

What is the InChIKey of 3-(furan-2-yl)-4-piperidin-1-yl-2-quinolin-2-yl-3-thiophen-2-ylmorpholine?

The InChIKey is WLKPSONXUKWRJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O2S/c1-4-14-28(15-5-1)29-16-18-31-25(22-13-12-20-8-2-3-9-21(20)27-22)26(29,23-10-6-17-30-23)24-11-7-19-32-24/h2-3,6-13,17,19,25H,1,4-5,14-16,18H2.

What are the key properties of 3-(furan-2-yl)-4-piperidin-1-yl-2-quinolin-2-yl-3-thiophen-2-ylmorpholine?

3-(furan-2-yl)-4-piperidin-1-yl-2-quinolin-2-yl-3-thiophen-2-ylmorpholine has a molecular weight of 445.59 g/mol, XLogP of 5.61, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(furan-2-yl)-4-piperidin-1-yl-2-quinolin-2-yl-3-thiophen-2-ylmorpholine is sourced from PubChem (CID 141073613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 141073613 — identifiers, structure, computed properties (public domain)

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