4,5,6,7-Tetrachloro-2-(dimethylamino)-1H-isoindole-1,3(2H)-dione

C10H6Cl4N2O2 — CID 248197

IUPAC4,5,6,7-tetrachloro-2-(dimethylamino)isoindole-1,3-dione
SMILESCN(C)N1C(=O)C2=C(C1=O)C(=C(C(=C2Cl)Cl)Cl)Cl
InChIInChI=1S/C10H6Cl4N2O2/c1-15(2)16-9(17)3-4(10(16)18)6(12)8(14)7(13)5(3)11/h1-2H3
InChIKeyQWYCNQBRRRDZCT-UHFFFAOYSA-N
MW328.00 g/mol
LogP3.60
Rot. Bonds1

About 4,5,6,7-Tetrachloro-2-(dimethylamino)-1H-isoindole-1,3(2H)-dione

4,5,6,7-Tetrachloro-2-(dimethylamino)-1H-isoindole-1,3(2H)-dione (PubChem CID 248197) has the molecular formula C10H6Cl4N2O2 and a molecular weight of 328.00 g/mol. Its IUPAC name is 4,5,6,7-tetrachloro-2-(dimethylamino)isoindole-1,3-dione.

Molecular Properties

Compound Name4,5,6,7-Tetrachloro-2-(dimethylamino)-1H-isoindole-1,3(2H)-dione
PubChem CID248197
Molecular FormulaC10H6Cl4N2O2
Molecular Weight328.00 g/mol
Exact Mass327.92
IUPAC Name4,5,6,7-tetrachloro-2-(dimethylamino)isoindole-1,3-dione
SMILESCN(C)N1C(=O)C2=C(C1=O)C(=C(C(=C2Cl)Cl)Cl)Cl
InChIInChI=1S/C10H6Cl4N2O2/c1-15(2)16-9(17)3-4(10(16)18)6(12)8(14)7(13)5(3)11/h1-2H3
InChIKeyQWYCNQBRRRDZCT-UHFFFAOYSA-N
XLogP3.60
TPSA40.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity360

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.00
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 4,5,6,7-Tetrachloro-2-(dimethylamino)-1H-isoindole-1,3(2H)-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-Benzyl-4,5,6,7-tetrachloroisoindoline-1,3-dione
CID 983732
3,4,5,6-Tetrachlorophthalimide
CID 74077
1H-Isoindole-1,3(2H)-dione, 4,5,6,7-tetrachloro-2-methyl-
CID 84615
Plumbane, (3,4,5,6-tetrachloro-N-phthalimido)triethyl-
CID 16683433
4,5,6,7-tetrachloro-2-hydroxy-2,3-dihydro-1H-isoindole-1,3-dione
CID 287359
2,2'-(1,6-Hexanediyl)bis(4,5,6,7-tetrachloro-1H-isoindole-1,3(2H)-dione)
CID 163101
4,5,6,7-Tetrachloro-2-(4-phenylbutyl)isoindoline-1,3-dione
CID 10319782
1H-Isoindole-1,3(2H)-dione, 4,5,6,7-tetrachloro-2-heptyl-
CID 106042
AK-918/11402438
CID 626647
4,5,6,7-Tetrachloro-2-phenethyl-isoindole-1,3-dione
CID 10385642
4,5,6,7-Tetrachloro-2-(3-phenylpropyl)isoindoline-1,3-dione
CID 10739903
2-butyl-4,5,6,7-tetrachloro-1H-isoindole-1,3(2H)-dione
CID 305592

Frequently Asked Questions

What is the IUPAC name of 4,5,6,7-Tetrachloro-2-(dimethylamino)-1H-isoindole-1,3(2H)-dione?
The IUPAC name of 4,5,6,7-Tetrachloro-2-(dimethylamino)-1H-isoindole-1,3(2H)-dione (CID 248197) is 4,5,6,7-tetrachloro-2-(dimethylamino)isoindole-1,3-dione.
What is the SMILES notation for 4,5,6,7-Tetrachloro-2-(dimethylamino)-1H-isoindole-1,3(2H)-dione?
The canonical SMILES for 4,5,6,7-Tetrachloro-2-(dimethylamino)-1H-isoindole-1,3(2H)-dione is CN(C)N1C(=O)C2=C(C1=O)C(=C(C(=C2Cl)Cl)Cl)Cl.
What is the InChIKey of 4,5,6,7-Tetrachloro-2-(dimethylamino)-1H-isoindole-1,3(2H)-dione?
The InChIKey is QWYCNQBRRRDZCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Cl4N2O2/c1-15(2)16-9(17)3-4(10(16)18)6(12)8(14)7(13)5(3)11/h1-2H3.
What are the key properties of 4,5,6,7-Tetrachloro-2-(dimethylamino)-1H-isoindole-1,3(2H)-dione?
4,5,6,7-Tetrachloro-2-(dimethylamino)-1H-isoindole-1,3(2H)-dione has a molecular weight of 328.00 g/mol, XLogP of 3.60, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6,7-Tetrachloro-2-(dimethylamino)-1H-isoindole-1,3(2H)-dione is sourced from PubChem (CID 248197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).