3-[6-oxo-1'-(quinoxalin-5-ylmethyl)spiro[2,8-dihydrofuro[2,3-e]isoindole-3,4'-piperidine]-7-yl]piperidine-2,6-dione

About 3-[6-oxo-1'-(quinoxalin-5-ylmethyl)spiro[2,8-dihydrofuro[2,3-e]isoindole-3,4'-piperidine]-7-yl]piperidine-2,6-dione

3-[6-oxo-1'-(quinoxalin-5-ylmethyl)spiro[2,8-dihydrofuro[2,3-e]isoindole-3,4'-piperidine]-7-yl]piperidine-2,6-dione (PubChem CID 170278986) has the molecular formula C28H27N5O4 and a molecular weight of 497.56 g/mol. Its IUPAC name is 3-[6-oxo-1'-(quinoxalin-5-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-5-ylmethyl)spiro[2,8-dihydrofuro[2,3-e]isoindole-3,4'-piperidine]-7-yl]piperidine-2,6-dione
PubChem CID	170278986
Molecular Formula	C28H27N5O4
Molecular Weight	497.56 g/mol
Exact Mass	497.21
IUPAC Name	3-[6-oxo-1'-(quinoxalin-5-ylmethyl)spiro[2,8-dihydrofuro[2,3-e]isoindole-3,4'-piperidine]-7-yl]piperidine-2,6-dione
SMILES	O=C1CCC(N2Cc3c(ccc4c3OCC43CCN(Cc4cccc5nccnc45)CC3)C2=O)C(=O)N1
InChI	InChI=1S/C28H27N5O4/c34-23-7-6-22(26(35)31-23)33-15-19-18(27(33)36)4-5-20-25(19)37-16-28(20)8-12-32(13-9-28)14-17-2-1-3-21-24(17)30-11-10-29-21/h1-5,10-11,22H,6-9,12-16H2,(H,31,34,35)
InChIKey	WSHWJZOXXNPWKS-UHFFFAOYSA-N
XLogP	2.32
TPSA	104.73 Å²
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'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 3-[6-oxo-1'-(quinoxalin-5-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-5-ylmethyl)spiro[2,8-dihydrofuro[2,3-e]isoindole-3,4'-piperidine]-7-yl]piperidine-2,6-dione (CID 170278986) is 3-[6-oxo-1'-(quinoxalin-5-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-5-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-5-ylmethyl)spiro[2,8-dihydrofuro[2,3-e]isoindole-3,4'-piperidine]-7-yl]piperidine-2,6-dione is O=C1CCC(N2Cc3c(ccc4c3OCC43CCN(Cc4cccc5nccnc45)CC3)C2=O)C(=O)N1.

What is the InChIKey of 3-[6-oxo-1'-(quinoxalin-5-ylmethyl)spiro[2,8-dihydrofuro[2,3-e]isoindole-3,4'-piperidine]-7-yl]piperidine-2,6-dione?

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

What are the key properties of 3-[6-oxo-1'-(quinoxalin-5-ylmethyl)spiro[2,8-dihydrofuro[2,3-e]isoindole-3,4'-piperidine]-7-yl]piperidine-2,6-dione?

3-[6-oxo-1'-(quinoxalin-5-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-5-ylmethyl)spiro[2,8-dihydrofuro[2,3-e]isoindole-3,4'-piperidine]-7-yl]piperidine-2,6-dione is sourced from PubChem (CID 170278986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).