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

C29H28N4O4 — CID 169242310

IUPAC3-[7-oxo-1'-(quinolin-5-ylmethyl)spiro[2,5-dihydrofuro[2,3-f]isoindole-3,4'-piperidine]-6-yl]piperidine-2,6-dione
SMILESO=C1CCC(N2Cc3cc4c(cc3C2=O)OCC42CCN(Cc3cccc4ncccc34)CC2)C(=O)N1
InChIInChI=1S/C29H28N4O4/c34-26-7-6-24(27(35)31-26)33-16-19-13-22-25(14-21(19)28(33)36)37-17-29(22)8-11-32(12-9-29)15-18-3-1-5-23-20(18)4-2-10-30-23/h1-5,10,13-14,24H,6-9,11-12,15-17H2,(H,31,34,35)
InChIKeyBYXGDQGNHDHMBF-UHFFFAOYSA-N
MW496.57 g/mol
LogP2.92
Rot. Bonds3

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

3-[7-oxo-1'-(quinolin-5-ylmethyl)spiro[2,5-dihydrofuro[2,3-f]isoindole-3,4'-piperidine]-6-yl]piperidine-2,6-dione (PubChem CID 169242310) has the molecular formula C29H28N4O4 and a molecular weight of 496.57 g/mol. Its IUPAC name is 3-[7-oxo-1'-(quinolin-5-ylmethyl)spiro[2,5-dihydrofuro[2,3-f]isoindole-3,4'-piperidine]-6-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[7-oxo-1'-(quinolin-5-ylmethyl)spiro[2,5-dihydrofuro[2,3-f]isoindole-3,4'-piperidine]-6-yl]piperidine-2,6-dione
PubChem CID169242310
Molecular FormulaC29H28N4O4
Molecular Weight496.57 g/mol
Exact Mass496.21
IUPAC Name3-[7-oxo-1'-(quinolin-5-ylmethyl)spiro[2,5-dihydrofuro[2,3-f]isoindole-3,4'-piperidine]-6-yl]piperidine-2,6-dione
SMILESO=C1CCC(N2Cc3cc4c(cc3C2=O)OCC42CCN(Cc3cccc4ncccc34)CC2)C(=O)N1
InChIInChI=1S/C29H28N4O4/c34-26-7-6-24(27(35)31-26)33-16-19-13-22-25(14-21(19)28(33)36)37-17-29(22)8-11-32(12-9-29)15-18-3-1-5-23-20(18)4-2-10-30-23/h1-5,10,13-14,24H,6-9,11-12,15-17H2,(H,31,34,35)
InChIKeyBYXGDQGNHDHMBF-UHFFFAOYSA-N
XLogP2.92
TPSA91.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.57
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-[1'-(1H-indazol-4-ylmethyl)-7-oxospiro[2,5-dihydrofuro[2,3-f]isoindole-3,4'-piperidine]-6-yl]piperidine-2,6-dione
CID 169242313
3-[1'-(1H-indol-4-ylmethyl)-7-oxospiro[2,5-dihydrofuro[2,3-f]isoindole-3,4'-piperidine]-6-yl]piperidine-2,6-dione
CID 169242431
3-[1'-[(2,2-dimethyl-3,4-dihydrochromen-8-yl)methyl]-7-oxospiro[2,5-dihydrofuro[2,3-f]isoindole-3,4'-piperidine]-6-yl]piperidine-2,6-dione
CID 169242357
3-[1'-(1H-indol-7-ylmethyl)-7-oxospiro[2,5-dihydrofuro[2,3-f]isoindole-3,4'-piperidine]-6-yl]piperidine-2,6-dione
CID 169242371
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
3-[7-oxo-1'-[(4-phenylthiophen-2-yl)methyl]spiro[2,5-dihydrofuro[2,3-f]isoindole-3,4'-piperidine]-6-yl]piperidine-2,6-dione
CID 169242351
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
3-(7-oxospiro[2,5-dihydrofuro[2,3-f]isoindole-3,4'-piperidine]-6-yl)piperidine-2,6-dione
CID 169202856
3-[1'-(1H-indazol-4-ylmethyl)-6-oxospiro[2,8-dihydrofuro[2,3-e]isoindole-3,4'-piperidine]-7-yl]piperidine-2,6-dione
CID 169201451
3-[6-oxo-1'-[(2-oxo-1,3-dihydroindol-7-yl)methyl]spiro[2,8-dihydrofuro[2,3-e]isoindole-3,4'-piperidine]-7-yl]piperidine-2,6-dione
CID 169201380
3-(8-oxo-6H-pyrrolo[3,4-g]quinolin-7-yl)piperidine-2,6-dione
CID 164920226
3-[1'-[(4-chloronaphthalen-1-yl)methyl]-6-oxospiro[2,8-dihydrofuro[2,3-e]isoindole-3,4'-piperidine]-7-yl]piperidine-2,6-dione
CID 169201224

Frequently Asked Questions

What is the IUPAC name of 3-[7-oxo-1'-(quinolin-5-ylmethyl)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'-(quinolin-5-ylmethyl)spiro[2,5-dihydrofuro[2,3-f]isoindole-3,4'-piperidine]-6-yl]piperidine-2,6-dione (CID 169242310) is 3-[7-oxo-1'-(quinolin-5-ylmethyl)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'-(quinolin-5-ylmethyl)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'-(quinolin-5-ylmethyl)spiro[2,5-dihydrofuro[2,3-f]isoindole-3,4'-piperidine]-6-yl]piperidine-2,6-dione is O=C1CCC(N2Cc3cc4c(cc3C2=O)OCC42CCN(Cc3cccc4ncccc34)CC2)C(=O)N1.
What is the InChIKey of 3-[7-oxo-1'-(quinolin-5-ylmethyl)spiro[2,5-dihydrofuro[2,3-f]isoindole-3,4'-piperidine]-6-yl]piperidine-2,6-dione?
The InChIKey is BYXGDQGNHDHMBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28N4O4/c34-26-7-6-24(27(35)31-26)33-16-19-13-22-25(14-21(19)28(33)36)37-17-29(22)8-11-32(12-9-29)15-18-3-1-5-23-20(18)4-2-10-30-23/h1-5,10,13-14,24H,6-9,11-12,15-17H2,(H,31,34,35).
What are the key properties of 3-[7-oxo-1'-(quinolin-5-ylmethyl)spiro[2,5-dihydrofuro[2,3-f]isoindole-3,4'-piperidine]-6-yl]piperidine-2,6-dione?
3-[7-oxo-1'-(quinolin-5-ylmethyl)spiro[2,5-dihydrofuro[2,3-f]isoindole-3,4'-piperidine]-6-yl]piperidine-2,6-dione has a molecular weight of 496.57 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[7-oxo-1'-(quinolin-5-ylmethyl)spiro[2,5-dihydrofuro[2,3-f]isoindole-3,4'-piperidine]-6-yl]piperidine-2,6-dione is sourced from PubChem (CID 169242310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).