2-[3-methyl-1-oxo-1-(4-quinoxalin-2-ylpiperazin-1-yl)pentan-2-yl]isoindole-1,3-dione

C26H27N5O3 — CID 108741363

About 2-[3-methyl-1-oxo-1-(4-quinoxalin-2-ylpiperazin-1-yl)pentan-2-yl]isoindole-1,3-dione

2-[3-methyl-1-oxo-1-(4-quinoxalin-2-ylpiperazin-1-yl)pentan-2-yl]isoindole-1,3-dione (PubChem CID 108741363) has the molecular formula C26H27N5O3 and a molecular weight of 457.53 g/mol. Its IUPAC name is 2-[3-methyl-1-oxo-1-(4-quinoxalin-2-ylpiperazin-1-yl)pentan-2-yl]isoindole-1,3-dione.

Molecular Properties

• Compound Name: 2-[3-methyl-1-oxo-1-(4-quinoxalin-2-ylpiperazin-1-yl)pentan-2-yl]isoindole-1,3-dione
• PubChem CID: 108741363
• Molecular Formula: C26H27N5O3
• Molecular Weight: 457.53 g/mol
• Exact Mass: 457.21
• IUPAC Name: 2-[3-methyl-1-oxo-1-(4-quinoxalin-2-ylpiperazin-1-yl)pentan-2-yl]isoindole-1,3-dione
• SMILES: CCC(C)C(C(=O)N1CCN(c2cnc3ccccc3n2)CC1)N1C(=O)c2ccccc2C1=O
• InChI: InChI=1S/C26H27N5O3/c1-3-17(2)23(31-24(32)18-8-4-5-9-19(18)25(31)33)26(34)30-14-12-29(13-15-30)22-16-27-20-10-6-7-11-21(20)28-22/h4-11,16-17,23H,3,12-15H2,1-2H3
• InChIKey: UYUKKAPQTURCGB-UHFFFAOYSA-N
• XLogP: 2.99
• TPSA: 86.71 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	457.53
LogP ≤ 5	2.99
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[3-methyl-1-oxo-1-(4-quinoxalin-2-ylpiperazin-1-yl)pentan-2-yl]isoindole-1,3-dione?

The IUPAC name of 2-[3-methyl-1-oxo-1-(4-quinoxalin-2-ylpiperazin-1-yl)pentan-2-yl]isoindole-1,3-dione (CID 108741363) is 2-[3-methyl-1-oxo-1-(4-quinoxalin-2-ylpiperazin-1-yl)pentan-2-yl]isoindole-1,3-dione.

What is the SMILES notation for 2-[3-methyl-1-oxo-1-(4-quinoxalin-2-ylpiperazin-1-yl)pentan-2-yl]isoindole-1,3-dione?

The canonical SMILES for 2-[3-methyl-1-oxo-1-(4-quinoxalin-2-ylpiperazin-1-yl)pentan-2-yl]isoindole-1,3-dione is CCC(C)C(C(=O)N1CCN(c2cnc3ccccc3n2)CC1)N1C(=O)c2ccccc2C1=O.

What is the InChIKey of 2-[3-methyl-1-oxo-1-(4-quinoxalin-2-ylpiperazin-1-yl)pentan-2-yl]isoindole-1,3-dione?

The InChIKey is UYUKKAPQTURCGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O3/c1-3-17(2)23(31-24(32)18-8-4-5-9-19(18)25(31)33)26(34)30-14-12-29(13-15-30)22-16-27-20-10-6-7-11-21(20)28-22/h4-11,16-17,23H,3,12-15H2,1-2H3.

What are the key properties of 2-[3-methyl-1-oxo-1-(4-quinoxalin-2-ylpiperazin-1-yl)pentan-2-yl]isoindole-1,3-dione?

2-[3-methyl-1-oxo-1-(4-quinoxalin-2-ylpiperazin-1-yl)pentan-2-yl]isoindole-1,3-dione has a molecular weight of 457.53 g/mol, XLogP of 2.99, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-methyl-1-oxo-1-(4-quinoxalin-2-ylpiperazin-1-yl)pentan-2-yl]isoindole-1,3-dione is sourced from PubChem (CID 108741363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).