4-amino-2-(5-amino-2-hydroxyphenyl)isoindole-1,3-dione

C14H11N3O3 — CID 139787348

IUPAC4-amino-2-(5-amino-2-hydroxyphenyl)isoindole-1,3-dione
SMILESNc1ccc(O)c(N2C(=O)c3cccc(N)c3C2=O)c1
InChIInChI=1S/C14H11N3O3/c15-7-4-5-11(18)10(6-7)17-13(19)8-2-1-3-9(16)12(8)14(17)20/h1-6,18H,15-16H2
InChIKeyKFNWFOKRYNHQHA-UHFFFAOYSA-N
MW269.26 g/mol
LogP1.36
Rot. Bonds1

About 4-amino-2-(5-amino-2-hydroxyphenyl)isoindole-1,3-dione

4-amino-2-(5-amino-2-hydroxyphenyl)isoindole-1,3-dione (PubChem CID 139787348) has the molecular formula C14H11N3O3 and a molecular weight of 269.26 g/mol. Its IUPAC name is 4-amino-2-(5-amino-2-hydroxyphenyl)isoindole-1,3-dione.

Molecular Properties

Compound Name4-amino-2-(5-amino-2-hydroxyphenyl)isoindole-1,3-dione
PubChem CID139787348
Molecular FormulaC14H11N3O3
Molecular Weight269.26 g/mol
Exact Mass269.08
IUPAC Name4-amino-2-(5-amino-2-hydroxyphenyl)isoindole-1,3-dione
SMILESNc1ccc(O)c(N2C(=O)c3cccc(N)c3C2=O)c1
InChIInChI=1S/C14H11N3O3/c15-7-4-5-11(18)10(6-7)17-13(19)8-2-1-3-9(16)12(8)14(17)20/h1-6,18H,15-16H2
InChIKeyKFNWFOKRYNHQHA-UHFFFAOYSA-N
XLogP1.36
TPSA109.65 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2-(4-amino-1,3-dioxoisoindol-2-yl)benzamide
CID 139787327
4-amino-2-(4-amino-2-methoxyphenyl)isoindole-1,3-dione
CID 139787318
4-amino-2-(2,4,5-trifluorophenyl)isoindole-1,3-dione
CID 62816614
4-amino-2-(2,4-dimethylphenyl)isoindole-1,3-dione
CID 4219186
4-amino-2-(2,5-difluorophenyl)isoindole-1,3-dione
CID 28773083
4-amino-2-(2-methylsulfanylphenyl)isoindole-1,3-dione
CID 86189271
2-(2-hydroxy-5-phenylphenyl)isoindole-1,3-dione
CID 172816756
4-amino-2-(4-iodophenyl)isoindole-1,3-dione
CID 28976688
4-amino-2-(3-amino-4-fluorophenyl)isoindole-1,3-dione
CID 139787302
3-amino-2-(2,5-diaminophenyl)phenol
CID 22173919
4-amino-2-(2,6-diethylphenyl)isoindole-1,3-dione
CID 70493572
4-amino-2-pyrimidin-5-ylisoindole-1,3-dione
CID 107588970

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(5-amino-2-hydroxyphenyl)isoindole-1,3-dione?
The IUPAC name of 4-amino-2-(5-amino-2-hydroxyphenyl)isoindole-1,3-dione (CID 139787348) is 4-amino-2-(5-amino-2-hydroxyphenyl)isoindole-1,3-dione.
What is the SMILES notation for 4-amino-2-(5-amino-2-hydroxyphenyl)isoindole-1,3-dione?
The canonical SMILES for 4-amino-2-(5-amino-2-hydroxyphenyl)isoindole-1,3-dione is Nc1ccc(O)c(N2C(=O)c3cccc(N)c3C2=O)c1.
What is the InChIKey of 4-amino-2-(5-amino-2-hydroxyphenyl)isoindole-1,3-dione?
The InChIKey is KFNWFOKRYNHQHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O3/c15-7-4-5-11(18)10(6-7)17-13(19)8-2-1-3-9(16)12(8)14(17)20/h1-6,18H,15-16H2.
What are the key properties of 4-amino-2-(5-amino-2-hydroxyphenyl)isoindole-1,3-dione?
4-amino-2-(5-amino-2-hydroxyphenyl)isoindole-1,3-dione has a molecular weight of 269.26 g/mol, XLogP of 1.36, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(5-amino-2-hydroxyphenyl)isoindole-1,3-dione is sourced from PubChem (CID 139787348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).