3-[7-oxo-1'-[(2-oxo-1H-quinolin-8-yl)methyl]spiro[2,5-dihydrofuro[2,3-f]isoindole-3,4'-piperidine]-6-yl]piperidine-2,6-dione

About 3-[7-oxo-1'-[(2-oxo-1H-quinolin-8-yl)methyl]spiro[2,5-dihydrofuro[2,3-f]isoindole-3,4'-piperidine]-6-yl]piperidine-2,6-dione

3-[7-oxo-1'-[(2-oxo-1H-quinolin-8-yl)methyl]spiro[2,5-dihydrofuro[2,3-f]isoindole-3,4'-piperidine]-6-yl]piperidine-2,6-dione (PubChem CID 169242404) has the molecular formula C29H28N4O5 and a molecular weight of 512.57 g/mol. Its IUPAC name is 3-[7-oxo-1'-[(2-oxo-1H-quinolin-8-yl)methyl]spiro[2,5-dihydrofuro[2,3-f]isoindole-3,4'-piperidine]-6-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name	3-[7-oxo-1'-[(2-oxo-1H-quinolin-8-yl)methyl]spiro[2,5-dihydrofuro[2,3-f]isoindole-3,4'-piperidine]-6-yl]piperidine-2,6-dione
PubChem CID	169242404
Molecular Formula	C29H28N4O5
Molecular Weight	512.57 g/mol
Exact Mass	512.21
IUPAC Name	3-[7-oxo-1'-[(2-oxo-1H-quinolin-8-yl)methyl]spiro[2,5-dihydrofuro[2,3-f]isoindole-3,4'-piperidine]-6-yl]piperidine-2,6-dione
SMILES	O=C1CCC(N2Cc3cc4c(cc3C2=O)OCC42CCN(Cc3cccc4ccc(=O)[nH]c34)CC2)C(=O)N1
InChI	InChI=1S/C29H28N4O5/c34-24-6-4-17-2-1-3-18(26(17)30-24)14-32-10-8-29(9-11-32)16-38-23-13-20-19(12-21(23)29)15-33(28(20)37)22-5-7-25(35)31-27(22)36/h1-4,6,12-13,22H,5,7-11,14-16H2,(H,30,34)(H,31,35,36)
InChIKey	KQDNWDCXNSPALP-UHFFFAOYSA-N
XLogP	2.22
TPSA	111.81 Å²
H-Bond Donors	2
H-Bond Acceptors	6
Rotatable Bonds	3
Heavy Atoms	38
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	512.57
LogP ≤ 5	2.22
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 3-[7-oxo-1'-[(2-oxo-1H-quinolin-8-yl)methyl]spiro[2,5-dihydrofuro[2,3-f]isoindole-3,4'-piperidine]-6-yl]piperidine-2,6-dione?

The IUPAC name of 3-[7-oxo-1'-[(2-oxo-1H-quinolin-8-yl)methyl]spiro[2,5-dihydrofuro[2,3-f]isoindole-3,4'-piperidine]-6-yl]piperidine-2,6-dione (CID 169242404) is 3-[7-oxo-1'-[(2-oxo-1H-quinolin-8-yl)methyl]spiro[2,5-dihydrofuro[2,3-f]isoindole-3,4'-piperidine]-6-yl]piperidine-2,6-dione.

What is the SMILES notation for 3-[7-oxo-1'-[(2-oxo-1H-quinolin-8-yl)methyl]spiro[2,5-dihydrofuro[2,3-f]isoindole-3,4'-piperidine]-6-yl]piperidine-2,6-dione?

The canonical SMILES for 3-[7-oxo-1'-[(2-oxo-1H-quinolin-8-yl)methyl]spiro[2,5-dihydrofuro[2,3-f]isoindole-3,4'-piperidine]-6-yl]piperidine-2,6-dione is O=C1CCC(N2Cc3cc4c(cc3C2=O)OCC42CCN(Cc3cccc4ccc(=O)[nH]c34)CC2)C(=O)N1.

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

The InChIKey is KQDNWDCXNSPALP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28N4O5/c34-24-6-4-17-2-1-3-18(26(17)30-24)14-32-10-8-29(9-11-32)16-38-23-13-20-19(12-21(23)29)15-33(28(20)37)22-5-7-25(35)31-27(22)36/h1-4,6,12-13,22H,5,7-11,14-16H2,(H,30,34)(H,31,35,36).

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

3-[7-oxo-1'-[(2-oxo-1H-quinolin-8-yl)methyl]spiro[2,5-dihydrofuro[2,3-f]isoindole-3,4'-piperidine]-6-yl]piperidine-2,6-dione has a molecular weight of 512.57 g/mol, XLogP of 2.22, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[7-oxo-1'-[(2-oxo-1H-quinolin-8-yl)methyl]spiro[2,5-dihydrofuro[2,3-f]isoindole-3,4'-piperidine]-6-yl]piperidine-2,6-dione is sourced from PubChem (CID 169242404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).