2-(3-spiro[5H-pyrrolo[1,2-a]quinoxaline-4,3'-piperidine]-1'-ylpropyl)isoindole-1,3-dione

C26H26N4O2 — CID 126468748

IUPAC2-(3-spiro[5H-pyrrolo[1,2-a]quinoxaline-4,3'-piperidine]-1'-ylpropyl)isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CCCN1CCCC2(C1)Nc1ccccc1-n1cccc12
InChIInChI=1S/C26H26N4O2/c31-24-19-8-1-2-9-20(19)25(32)30(24)17-7-15-28-14-6-13-26(18-28)23-12-5-16-29(23)22-11-4-3-10-21(22)27-26/h1-5,8-12,16,27H,6-7,13-15,17-18H2
InChIKeyKBJOOJRDUFTKJK-UHFFFAOYSA-N
MW426.52 g/mol
LogP3.88
Rot. Bonds4

About 2-(3-spiro[5H-pyrrolo[1,2-a]quinoxaline-4,3'-piperidine]-1'-ylpropyl)isoindole-1,3-dione

2-(3-spiro[5H-pyrrolo[1,2-a]quinoxaline-4,3'-piperidine]-1'-ylpropyl)isoindole-1,3-dione (PubChem CID 126468748) has the molecular formula C26H26N4O2 and a molecular weight of 426.52 g/mol. Its IUPAC name is 2-(3-spiro[5H-pyrrolo[1,2-a]quinoxaline-4,3'-piperidine]-1'-ylpropyl)isoindole-1,3-dione.

Molecular Properties

Compound Name2-(3-spiro[5H-pyrrolo[1,2-a]quinoxaline-4,3'-piperidine]-1'-ylpropyl)isoindole-1,3-dione
PubChem CID126468748
Molecular FormulaC26H26N4O2
Molecular Weight426.52 g/mol
Exact Mass426.21
IUPAC Name2-(3-spiro[5H-pyrrolo[1,2-a]quinoxaline-4,3'-piperidine]-1'-ylpropyl)isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CCCN1CCCC2(C1)Nc1ccccc1-n1cccc12
InChIInChI=1S/C26H26N4O2/c31-24-19-8-1-2-9-20(19)25(32)30(24)17-7-15-28-14-6-13-26(18-28)23-12-5-16-29(23)22-11-4-3-10-21(22)27-26/h1-5,8-12,16,27H,6-7,13-15,17-18H2
InChIKeyKBJOOJRDUFTKJK-UHFFFAOYSA-N
XLogP3.88
TPSA57.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-spiro[5H-pyrrolo[1,2-a]quinoxaline-4,3'-piperidine]-1'-ylpropyl)isoindole-1,3-dione?
The IUPAC name of 2-(3-spiro[5H-pyrrolo[1,2-a]quinoxaline-4,3'-piperidine]-1'-ylpropyl)isoindole-1,3-dione (CID 126468748) is 2-(3-spiro[5H-pyrrolo[1,2-a]quinoxaline-4,3'-piperidine]-1'-ylpropyl)isoindole-1,3-dione.
What is the SMILES notation for 2-(3-spiro[5H-pyrrolo[1,2-a]quinoxaline-4,3'-piperidine]-1'-ylpropyl)isoindole-1,3-dione?
The canonical SMILES for 2-(3-spiro[5H-pyrrolo[1,2-a]quinoxaline-4,3'-piperidine]-1'-ylpropyl)isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1CCCN1CCCC2(C1)Nc1ccccc1-n1cccc12.
What is the InChIKey of 2-(3-spiro[5H-pyrrolo[1,2-a]quinoxaline-4,3'-piperidine]-1'-ylpropyl)isoindole-1,3-dione?
The InChIKey is KBJOOJRDUFTKJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O2/c31-24-19-8-1-2-9-20(19)25(32)30(24)17-7-15-28-14-6-13-26(18-28)23-12-5-16-29(23)22-11-4-3-10-21(22)27-26/h1-5,8-12,16,27H,6-7,13-15,17-18H2.
What are the key properties of 2-(3-spiro[5H-pyrrolo[1,2-a]quinoxaline-4,3'-piperidine]-1'-ylpropyl)isoindole-1,3-dione?
2-(3-spiro[5H-pyrrolo[1,2-a]quinoxaline-4,3'-piperidine]-1'-ylpropyl)isoindole-1,3-dione has a molecular weight of 426.52 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-spiro[5H-pyrrolo[1,2-a]quinoxaline-4,3'-piperidine]-1'-ylpropyl)isoindole-1,3-dione is sourced from PubChem (CID 126468748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).