2-[[3-[(benzylamino)methyl]quinoxalin-2-yl]methyl]isoindole-1,3-dione

Name: 2-[[3-[(benzylamino)methyl]quinoxalin-2-yl]methyl]isoindole-1,3-dione — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₂₅H₂₀N₄O₂ — CID 139959069

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC2-[[3-[(benzylamino)methyl]quinoxalin-2-yl]methyl]isoindole-1,3-dione

SMILESO=C1c2ccccc2C(=O)N1Cc1nc2ccccc2nc1CNCc1ccccc1

InChIInChI=1S/C25H20N4O2/c30-24-18-10-4-5-11-19(18)25(31)29(24)16-23-22(15-26-14-17-8-2-1-3-9-17)27-20-12-6-7-13-21(20)28-23/h1-13,26H,14-16H2

InChIKeyALFNPXLSADGZCL-UHFFFAOYSA-N

MW408.46 g/mol

LogP3.72

Rot. Bonds6

About 2-[[3-[(benzylamino)methyl]quinoxalin-2-yl]methyl]isoindole-1,3-dione

2-[[3-[(benzylamino)methyl]quinoxalin-2-yl]methyl]isoindole-1,3-dione (PubChem CID 139959069) has the molecular formula C₂₅H₂₀N₄O₂ and a molecular weight of 408.46 g/mol. Its IUPAC name is 2-[[3-[(benzylamino)methyl]quinoxalin-2-yl]methyl]isoindole-1,3-dione.

Molecular Properties

Compound Name	2-[[3-[(benzylamino)methyl]quinoxalin-2-yl]methyl]isoindole-1,3-dione
PubChem CID	139959069
Molecular Formula	C₂₅H₂₀N₄O₂
Molecular Weight	408.46 g/mol
Exact Mass	408.16
IUPAC Name	2-[[3-[(benzylamino)methyl]quinoxalin-2-yl]methyl]isoindole-1,3-dione
SMILES	O=C1c2ccccc2C(=O)N1Cc1nc2ccccc2nc1CNCc1ccccc1
InChI	InChI=1S/C25H20N4O2/c30-24-18-10-4-5-11-19(18)25(31)29(24)16-23-22(15-26-14-17-8-2-1-3-9-17)27-20-12-6-7-13-21(20)28-23/h1-13,26H,14-16H2
InChIKey	ALFNPXLSADGZCL-UHFFFAOYSA-N
XLogP	3.72
TPSA	75.19 Å²
H-Bond Donors	1
H-Bond Acceptors	5
Rotatable Bonds	6
Heavy Atoms	31
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	408.46
LogP ≤ 5	3.72
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 2-[[3-[(benzylamino)methyl]quinoxalin-2-yl]methyl]isoindole-1,3-dione (CID 139959069) is 2-[[3-[(benzylamino)methyl]quinoxalin-2-yl]methyl]isoindole-1,3-dione.

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

The canonical SMILES for 2-[[3-[(benzylamino)methyl]quinoxalin-2-yl]methyl]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1Cc1nc2ccccc2nc1CNCc1ccccc1.

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

The InChIKey is ALFNPXLSADGZCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N4O2/c30-24-18-10-4-5-11-19(18)25(31)29(24)16-23-22(15-26-14-17-8-2-1-3-9-17)27-20-12-6-7-13-21(20)28-23/h1-13,26H,14-16H2.

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

2-[[3-[(benzylamino)methyl]quinoxalin-2-yl]methyl]isoindole-1,3-dione has a molecular weight of 408.46 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[3-[(benzylamino)methyl]quinoxalin-2-yl]methyl]isoindole-1,3-dione is sourced from PubChem (CID 139959069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 139959069 — identifiers, structure, computed properties (public domain)

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