3-[6-oxo-1'-(quinoxalin-6-ylmethyl)spiro[2,8-dihydrofuro[2,3-e]isoindole-3,4'-piperidine]-7-yl]piperidine-2,6-dione

C28H27N5O4 — CID 169201254

About 3-[6-oxo-1'-(quinoxalin-6-ylmethyl)spiro[2,8-dihydrofuro[2,3-e]isoindole-3,4'-piperidine]-7-yl]piperidine-2,6-dione

3-[6-oxo-1'-(quinoxalin-6-ylmethyl)spiro[2,8-dihydrofuro[2,3-e]isoindole-3,4'-piperidine]-7-yl]piperidine-2,6-dione (PubChem CID 169201254) has the molecular formula C28H27N5O4 and a molecular weight of 497.56 g/mol. Its IUPAC name is 3-[6-oxo-1'-(quinoxalin-6-ylmethyl)spiro[2,8-dihydrofuro[2,3-e]isoindole-3,4'-piperidine]-7-yl]piperidine-2,6-dione.

Molecular Properties

• Compound Name: 3-[6-oxo-1'-(quinoxalin-6-ylmethyl)spiro[2,8-dihydrofuro[2,3-e]isoindole-3,4'-piperidine]-7-yl]piperidine-2,6-dione
• PubChem CID: 169201254
• Molecular Formula: C28H27N5O4
• Molecular Weight: 497.56 g/mol
• Exact Mass: 497.21
• IUPAC Name: 3-[6-oxo-1'-(quinoxalin-6-ylmethyl)spiro[2,8-dihydrofuro[2,3-e]isoindole-3,4'-piperidine]-7-yl]piperidine-2,6-dione
• SMILES: O=C1CCC(N2Cc3c(ccc4c3OCC43CCN(Cc4ccc5nccnc5c4)CC3)C2=O)C(=O)N1
• InChI: InChI=1S/C28H27N5O4/c34-24-6-5-23(26(35)31-24)33-15-19-18(27(33)36)2-3-20-25(19)37-16-28(20)7-11-32(12-8-28)14-17-1-4-21-22(13-17)30-10-9-29-21/h1-4,9-10,13,23H,5-8,11-12,14-16H2,(H,31,34,35)
• InChIKey: WRFOURLXMVMSKM-UHFFFAOYSA-N
• XLogP: 2.32
• TPSA: 104.73 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	497.56
LogP ≤ 5	2.32
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[6-oxo-1'-(quinoxalin-6-ylmethyl)spiro[2,8-dihydrofuro[2,3-e]isoindole-3,4'-piperidine]-7-yl]piperidine-2,6-dione?

The IUPAC name of 3-[6-oxo-1'-(quinoxalin-6-ylmethyl)spiro[2,8-dihydrofuro[2,3-e]isoindole-3,4'-piperidine]-7-yl]piperidine-2,6-dione (CID 169201254) is 3-[6-oxo-1'-(quinoxalin-6-ylmethyl)spiro[2,8-dihydrofuro[2,3-e]isoindole-3,4'-piperidine]-7-yl]piperidine-2,6-dione.

What is the SMILES notation for 3-[6-oxo-1'-(quinoxalin-6-ylmethyl)spiro[2,8-dihydrofuro[2,3-e]isoindole-3,4'-piperidine]-7-yl]piperidine-2,6-dione?

The canonical SMILES for 3-[6-oxo-1'-(quinoxalin-6-ylmethyl)spiro[2,8-dihydrofuro[2,3-e]isoindole-3,4'-piperidine]-7-yl]piperidine-2,6-dione is O=C1CCC(N2Cc3c(ccc4c3OCC43CCN(Cc4ccc5nccnc5c4)CC3)C2=O)C(=O)N1.

What is the InChIKey of 3-[6-oxo-1'-(quinoxalin-6-ylmethyl)spiro[2,8-dihydrofuro[2,3-e]isoindole-3,4'-piperidine]-7-yl]piperidine-2,6-dione?

The InChIKey is WRFOURLXMVMSKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N5O4/c34-24-6-5-23(26(35)31-24)33-15-19-18(27(33)36)2-3-20-25(19)37-16-28(20)7-11-32(12-8-28)14-17-1-4-21-22(13-17)30-10-9-29-21/h1-4,9-10,13,23H,5-8,11-12,14-16H2,(H,31,34,35).

What are the key properties of 3-[6-oxo-1'-(quinoxalin-6-ylmethyl)spiro[2,8-dihydrofuro[2,3-e]isoindole-3,4'-piperidine]-7-yl]piperidine-2,6-dione?

3-[6-oxo-1'-(quinoxalin-6-ylmethyl)spiro[2,8-dihydrofuro[2,3-e]isoindole-3,4'-piperidine]-7-yl]piperidine-2,6-dione has a molecular weight of 497.56 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[6-oxo-1'-(quinoxalin-6-ylmethyl)spiro[2,8-dihydrofuro[2,3-e]isoindole-3,4'-piperidine]-7-yl]piperidine-2,6-dione is sourced from PubChem (CID 169201254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).