3-[6-[3-(ethylamino)quinoxalin-2-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

C23H21N5O3 — CID 166174002

About 3-[6-[3-(ethylamino)quinoxalin-2-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

3-[6-[3-(ethylamino)quinoxalin-2-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (PubChem CID 166174002) has the molecular formula C23H21N5O3 and a molecular weight of 415.45 g/mol. Its IUPAC name is 3-[6-[3-(ethylamino)quinoxalin-2-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.

Molecular Properties

• Compound Name: 3-[6-[3-(ethylamino)quinoxalin-2-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
• PubChem CID: 166174002
• Molecular Formula: C23H21N5O3
• Molecular Weight: 415.45 g/mol
• Exact Mass: 415.16
• IUPAC Name: 3-[6-[3-(ethylamino)quinoxalin-2-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
• SMILES: CCNc1nc2ccccc2nc1-c1ccc2c(c1)CN(C1CCC(=O)NC1=O)C2=O
• InChI: InChI=1S/C23H21N5O3/c1-2-24-21-20(25-16-5-3-4-6-17(16)26-21)13-7-8-15-14(11-13)12-28(23(15)31)18-9-10-19(29)27-22(18)30/h3-8,11,18H,2,9-10,12H2,1H3,(H,24,26)(H,27,29,30)
• InChIKey: MRRVJPULAAUWFR-UHFFFAOYSA-N
• XLogP: 2.49
• TPSA: 104.29 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	415.45
LogP ≤ 5	2.49
H-Bond Donors ≤ 5	2
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 3-[6-[3-(ethylamino)quinoxalin-2-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?

The IUPAC name of 3-[6-[3-(ethylamino)quinoxalin-2-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (CID 166174002) is 3-[6-[3-(ethylamino)quinoxalin-2-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.

What is the SMILES notation for 3-[6-[3-(ethylamino)quinoxalin-2-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?

The canonical SMILES for 3-[6-[3-(ethylamino)quinoxalin-2-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is CCNc1nc2ccccc2nc1-c1ccc2c(c1)CN(C1CCC(=O)NC1=O)C2=O.

What is the InChIKey of 3-[6-[3-(ethylamino)quinoxalin-2-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?

The InChIKey is MRRVJPULAAUWFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O3/c1-2-24-21-20(25-16-5-3-4-6-17(16)26-21)13-7-8-15-14(11-13)12-28(23(15)31)18-9-10-19(29)27-22(18)30/h3-8,11,18H,2,9-10,12H2,1H3,(H,24,26)(H,27,29,30).

What are the key properties of 3-[6-[3-(ethylamino)quinoxalin-2-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?

3-[6-[3-(ethylamino)quinoxalin-2-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione has a molecular weight of 415.45 g/mol, XLogP of 2.49, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[6-[3-(ethylamino)quinoxalin-2-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 166174002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).