6,8-dihydroxy-7H-isoindolo[5,4-e]isoindole-1,3-dione

C14H8N2O4 — CID 136648471

IUPAC6,8-dihydroxy-7H-isoindolo[5,4-e]isoindole-1,3-dione
SMILESO=C1NC(=O)c2c1ccc1c2ccc2c(O)[nH]c(O)c21
InChIInChI=1S/C14H8N2O4/c17-11-7-3-1-5-6(10(7)14(20)15-11)2-4-8-9(5)13(19)16-12(8)18/h1-4,15,17,20H,(H,16,18,19)
InChIKeyWQMWJRGKFBOPKQ-UHFFFAOYSA-N
MW268.23 g/mol
LogP1.62
Rot. Bonds

About 6,8-dihydroxy-7H-isoindolo[5,4-e]isoindole-1,3-dione

6,8-dihydroxy-7H-isoindolo[5,4-e]isoindole-1,3-dione (PubChem CID 136648471) has the molecular formula C14H8N2O4 and a molecular weight of 268.23 g/mol. Its IUPAC name is 6,8-dihydroxy-7H-isoindolo[5,4-e]isoindole-1,3-dione.

Molecular Properties

Compound Name6,8-dihydroxy-7H-isoindolo[5,4-e]isoindole-1,3-dione
PubChem CID136648471
Molecular FormulaC14H8N2O4
Molecular Weight268.23 g/mol
Exact Mass268.05
IUPAC Name6,8-dihydroxy-7H-isoindolo[5,4-e]isoindole-1,3-dione
SMILESO=C1NC(=O)c2c1ccc1c2ccc2c(O)[nH]c(O)c21
InChIInChI=1S/C14H8N2O4/c17-11-7-3-1-5-6(10(7)14(20)15-11)2-4-8-9(5)13(19)16-12(8)18/h1-4,15,17,20H,(H,16,18,19)
InChIKeyWQMWJRGKFBOPKQ-UHFFFAOYSA-N
XLogP1.62
TPSA102.42 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.23
LogP ≤ 51.62
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5,7-dihydroxy-6H-pyrrolo[3,4-f]isoindole-1,3-dione
CID 57035693
Isoindolo[6,7,1-cde]indole-2,5-diol
CID 494079
1,3-dihydroxy-N-(1,1,1-trifluoropropan-2-ylimino)-2H-isoindole-5-carboxamide
CID 167860411
1,3-dihydroxy-2H-isoindole-4-carbaldehyde
CID 53952779
2H-benzo[f]isoindole-1,3-diol
CID 90733360
2-Heptyl-5,7-dihydroxy-6-methylpyrrolo[3,4-f]isoindole-1,3-dione
CID 91580347
2-[[4-(1-hydroxy-9-imino-4-oxo-2H-benzo[f]isoindol-3-yl)phenyl]methyl]isoindole-1,3-dione
CID 136159010
1,3-dihydroxy-4,5-dioxo-2H-benzo[e]isoindole-8,9-dicarboxamide
CID 136406646
N-(1,3-dihydroxy-5-oxo-2H-benzo[e]isoindol-4-ylidene)benzamide
CID 136440350
N-(1,3-dihydroxy-5-oxo-2H-benzo[e]isoindol-4-ylidene)acetamide
CID 136440354
7-hydroxy-1,6-diphenyl-8H-indolo[7,6-g]indol-2-one
CID 136504145
5,7-Dihydroxy-2,6-dimethylpyrrolo[3,4-f]isoindole-1,3-dione
CID 137452198

Frequently Asked Questions

What is the IUPAC name of 6,8-dihydroxy-7H-isoindolo[5,4-e]isoindole-1,3-dione?
The IUPAC name of 6,8-dihydroxy-7H-isoindolo[5,4-e]isoindole-1,3-dione (CID 136648471) is 6,8-dihydroxy-7H-isoindolo[5,4-e]isoindole-1,3-dione.
What is the SMILES notation for 6,8-dihydroxy-7H-isoindolo[5,4-e]isoindole-1,3-dione?
The canonical SMILES for 6,8-dihydroxy-7H-isoindolo[5,4-e]isoindole-1,3-dione is O=C1NC(=O)c2c1ccc1c2ccc2c(O)[nH]c(O)c21.
What is the InChIKey of 6,8-dihydroxy-7H-isoindolo[5,4-e]isoindole-1,3-dione?
The InChIKey is WQMWJRGKFBOPKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8N2O4/c17-11-7-3-1-5-6(10(7)14(20)15-11)2-4-8-9(5)13(19)16-12(8)18/h1-4,15,17,20H,(H,16,18,19).
What are the key properties of 6,8-dihydroxy-7H-isoindolo[5,4-e]isoindole-1,3-dione?
6,8-dihydroxy-7H-isoindolo[5,4-e]isoindole-1,3-dione has a molecular weight of 268.23 g/mol, XLogP of 1.62, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dihydroxy-7H-isoindolo[5,4-e]isoindole-1,3-dione is sourced from PubChem (CID 136648471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).