4-amino-2-(4-amino-2-methoxyphenyl)isoindole-1,3-dione

C15H13N3O3 — CID 139787318

IUPAC4-amino-2-(4-amino-2-methoxyphenyl)isoindole-1,3-dione
SMILESCOc1cc(N)ccc1N1C(=O)c2cccc(N)c2C1=O
InChIInChI=1S/C15H13N3O3/c1-21-12-7-8(16)5-6-11(12)18-14(19)9-3-2-4-10(17)13(9)15(18)20/h2-7H,16-17H2,1H3
InChIKeyILPZDICEJBABAG-UHFFFAOYSA-N
MW283.29 g/mol
LogP1.66
Rot. Bonds2

About 4-amino-2-(4-amino-2-methoxyphenyl)isoindole-1,3-dione

4-amino-2-(4-amino-2-methoxyphenyl)isoindole-1,3-dione (PubChem CID 139787318) has the molecular formula C15H13N3O3 and a molecular weight of 283.29 g/mol. Its IUPAC name is 4-amino-2-(4-amino-2-methoxyphenyl)isoindole-1,3-dione.

Molecular Properties

Compound Name4-amino-2-(4-amino-2-methoxyphenyl)isoindole-1,3-dione
PubChem CID139787318
Molecular FormulaC15H13N3O3
Molecular Weight283.29 g/mol
Exact Mass283.10
IUPAC Name4-amino-2-(4-amino-2-methoxyphenyl)isoindole-1,3-dione
SMILESCOc1cc(N)ccc1N1C(=O)c2cccc(N)c2C1=O
InChIInChI=1S/C15H13N3O3/c1-21-12-7-8(16)5-6-11(12)18-14(19)9-3-2-4-10(17)13(9)15(18)20/h2-7H,16-17H2,1H3
InChIKeyILPZDICEJBABAG-UHFFFAOYSA-N
XLogP1.66
TPSA98.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_K(2)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 4-amino-2-(4-amino-2-methoxyphenyl)isoindole-1,3-dione with MolForge

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Related Compounds

4-amino-2-(5-amino-2-hydroxyphenyl)isoindole-1,3-dione
CID 139787348
5-amino-2-(4-amino-1,3-dioxoisoindol-2-yl)benzamide
CID 139787327
4-amino-2-(4-methoxyphenyl)isoindole-1,3-dione
CID 3092594
1-(4-amino-2-methoxyphenyl)azepane-2,7-dione
CID 43382567
4-amino-2-(2,4,5-trifluorophenyl)isoindole-1,3-dione
CID 62816614
5-amino-2-(5-amino-2-methoxyphenyl)isoindole-1,3-dione
CID 139787309
4-bromo-2-(2-methoxyphenyl)isoindole-1,3-dione
CID 2836357
4-amino-2-(2-methylsulfanylphenyl)isoindole-1,3-dione
CID 86189271
4-amino-2-(2,5-difluorophenyl)isoindole-1,3-dione
CID 28773083
1-(4-amino-2-methoxyphenyl)pyrrolidine-2,5-dione;1-(4-aminophenyl)pyrrolidine-2,5-dione
CID 157053560
4-amino-2-(2,6-diethylphenyl)isoindole-1,3-dione
CID 70493572
2-(2-methoxy-4-piperidin-1-ylphenyl)isoindole-1,3-dione
CID 168516530

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(4-amino-2-methoxyphenyl)isoindole-1,3-dione?
The IUPAC name of 4-amino-2-(4-amino-2-methoxyphenyl)isoindole-1,3-dione (CID 139787318) is 4-amino-2-(4-amino-2-methoxyphenyl)isoindole-1,3-dione.
What is the SMILES notation for 4-amino-2-(4-amino-2-methoxyphenyl)isoindole-1,3-dione?
The canonical SMILES for 4-amino-2-(4-amino-2-methoxyphenyl)isoindole-1,3-dione is COc1cc(N)ccc1N1C(=O)c2cccc(N)c2C1=O.
What is the InChIKey of 4-amino-2-(4-amino-2-methoxyphenyl)isoindole-1,3-dione?
The InChIKey is ILPZDICEJBABAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O3/c1-21-12-7-8(16)5-6-11(12)18-14(19)9-3-2-4-10(17)13(9)15(18)20/h2-7H,16-17H2,1H3.
What are the key properties of 4-amino-2-(4-amino-2-methoxyphenyl)isoindole-1,3-dione?
4-amino-2-(4-amino-2-methoxyphenyl)isoindole-1,3-dione has a molecular weight of 283.29 g/mol, XLogP of 1.66, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(4-amino-2-methoxyphenyl)isoindole-1,3-dione is sourced from PubChem (CID 139787318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).