2-[(Z)-quinoxalin-2-ylmethylideneamino]isoindole-1,3-dione

C17H10N4O2 — CID 9212085

IUPAC2-[(Z)-quinoxalin-2-ylmethylideneamino]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1/N=C\c1cnc2ccccc2n1
InChIInChI=1S/C17H10N4O2/c22-16-12-5-1-2-6-13(12)17(23)21(16)19-10-11-9-18-14-7-3-4-8-15(14)20-11/h1-10H/b19-10-
InChIKeyKTAZTWYFVUASGW-GRSHGNNSSA-N
MW302.29 g/mol
LogP2.26
Rot. Bonds2

About 2-[(Z)-quinoxalin-2-ylmethylideneamino]isoindole-1,3-dione

2-[(Z)-quinoxalin-2-ylmethylideneamino]isoindole-1,3-dione (PubChem CID 9212085) has the molecular formula C17H10N4O2 and a molecular weight of 302.29 g/mol. Its IUPAC name is 2-[(Z)-quinoxalin-2-ylmethylideneamino]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[(Z)-quinoxalin-2-ylmethylideneamino]isoindole-1,3-dione
PubChem CID9212085
Molecular FormulaC17H10N4O2
Molecular Weight302.29 g/mol
Exact Mass302.08
IUPAC Name2-[(Z)-quinoxalin-2-ylmethylideneamino]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1/N=C\c1cnc2ccccc2n1
InChIInChI=1S/C17H10N4O2/c22-16-12-5-1-2-6-13(12)17(23)21(16)19-10-11-9-18-14-7-3-4-8-15(14)20-11/h1-10H/b19-10-
InChIKeyKTAZTWYFVUASGW-GRSHGNNSSA-N
XLogP2.26
TPSA75.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.29
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 2-[(Z)-quinoxalin-2-ylmethylideneamino]isoindole-1,3-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(pyridin-2-ylmethylideneamino)isoindole-1,3-dione
CID 901062
2-[[4-[(1,3-dioxoisoindol-2-yl)iminomethyl]phenyl]methylideneamino]isoindole-1,3-dione
CID 1098364
2-[(Z)-[4-[(Z)-(1,3-dioxoisoindol-2-yl)iminomethyl]phenyl]methylideneamino]isoindole-1,3-dione
CID 5440307
(Z)-N-(4-methylpiperazin-4-ium-1-yl)-1-quinoxalin-2-ylmethanimine
CID 9211190
2-methyl-3-[(Z)-quinoxalin-2-ylmethylideneamino]thieno[2,3-d]pyrimidin-4-one
CID 9296302
2-(quinoxalin-2-ylmethylideneamino)phenol
CID 135531091
7-chloro-2-methyl-3-[(Z)-quinoxalin-2-ylmethylideneamino]quinazolin-4-one
CID 9294801
2-[(E)-(4-phenylphenyl)methylideneamino]isoindole-1,3-dione
CID 6909855
2-methyl-N-(quinoxalin-2-ylmethylidene)propane-2-sulfinamide
CID 139413501
1,3-dimethyl-5-(quinoxalin-2-ylmethylidene)-1,3-diazinane-2,4,6-trione
CID 9037683
2-[(Z)-(2-methylphenyl)methylideneamino]isoindole-1,3-dione
CID 5394460
methoxycarbonyl-dioxido-[(E)-quinoxalin-2-ylmethylideneamino]azanium
CID 172931542

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-quinoxalin-2-ylmethylideneamino]isoindole-1,3-dione?
The IUPAC name of 2-[(Z)-quinoxalin-2-ylmethylideneamino]isoindole-1,3-dione (CID 9212085) is 2-[(Z)-quinoxalin-2-ylmethylideneamino]isoindole-1,3-dione.
What is the SMILES notation for 2-[(Z)-quinoxalin-2-ylmethylideneamino]isoindole-1,3-dione?
The canonical SMILES for 2-[(Z)-quinoxalin-2-ylmethylideneamino]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1/N=C\c1cnc2ccccc2n1.
What is the InChIKey of 2-[(Z)-quinoxalin-2-ylmethylideneamino]isoindole-1,3-dione?
The InChIKey is KTAZTWYFVUASGW-GRSHGNNSSA-N. The full InChI is InChI=1S/C17H10N4O2/c22-16-12-5-1-2-6-13(12)17(23)21(16)19-10-11-9-18-14-7-3-4-8-15(14)20-11/h1-10H/b19-10-.
What are the key properties of 2-[(Z)-quinoxalin-2-ylmethylideneamino]isoindole-1,3-dione?
2-[(Z)-quinoxalin-2-ylmethylideneamino]isoindole-1,3-dione has a molecular weight of 302.29 g/mol, XLogP of 2.26, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-quinoxalin-2-ylmethylideneamino]isoindole-1,3-dione is sourced from PubChem (CID 9212085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).