4-amino-2-dibenzofuran-2-ylisoindole-1,3-dione

C20H12N2O3 — CID 3093304

IUPAC4-amino-2-dibenzofuran-2-ylisoindole-1,3-dione
SMILESNc1cccc2c1C(=O)N(c1ccc3oc4ccccc4c3c1)C2=O
InChIInChI=1S/C20H12N2O3/c21-15-6-3-5-13-18(15)20(24)22(19(13)23)11-8-9-17-14(10-11)12-4-1-2-7-16(12)25-17/h1-10H,21H2
InChIKeyPJSLUKONKWWCDZ-UHFFFAOYSA-N
MW328.33 g/mol
LogP3.97
Rot. Bonds1

About 4-amino-2-dibenzofuran-2-ylisoindole-1,3-dione

4-amino-2-dibenzofuran-2-ylisoindole-1,3-dione (PubChem CID 3093304) has the molecular formula C20H12N2O3 and a molecular weight of 328.33 g/mol. Its IUPAC name is 4-amino-2-dibenzofuran-2-ylisoindole-1,3-dione.

Molecular Properties

Compound Name4-amino-2-dibenzofuran-2-ylisoindole-1,3-dione
PubChem CID3093304
Molecular FormulaC20H12N2O3
Molecular Weight328.33 g/mol
Exact Mass328.08
IUPAC Name4-amino-2-dibenzofuran-2-ylisoindole-1,3-dione
SMILESNc1cccc2c1C(=O)N(c1ccc3oc4ccccc4c3c1)C2=O
InChIInChI=1S/C20H12N2O3/c21-15-6-3-5-13-18(15)20(24)22(19(13)23)11-8-9-17-14(10-11)12-4-1-2-7-16(12)25-17/h1-10H,21H2
InChIKeyPJSLUKONKWWCDZ-UHFFFAOYSA-N
XLogP3.97
TPSA76.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.33
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-amino-2-dibenzofuran-2-ylisoindole-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-dibenzofuran-3-yl-4-nitroisoindole-1,3-dione
CID 2317120
2-dibenzofuran-3-ylbenzo[de]isoquinoline-1,3-dione
CID 2876619
4-amino-2-(3-amino-4-fluorophenyl)isoindole-1,3-dione
CID 139787302
20-(3-hydroxyphenyl)-2,15-dioxa-20-azapentacyclo[14.7.0.03,8.09,14.018,22]tricosa-1(16),3,5,7,9,11,13,17,22-nonaene-19,21-dione
CID 19587901
4-amino-2-(4-iodophenyl)isoindole-1,3-dione
CID 28976688
5-bromo-2-dibenzofuran-3-ylisoindole-1,3-dione
CID 7550711
4-amino-2-(4-methoxyphenyl)isoindole-1,3-dione
CID 3092594
4-amino-2-pyrimidin-5-ylisoindole-1,3-dione
CID 107588970
6-dibenzofuran-3-yl-2-phenylbenzo[de]isoquinoline-1,3-dione
CID 137492261
[3-(4-amino-1,3-dioxoisoindol-2-yl)phenyl] acetate
CID 703427
dibenzofuran-2-amine
CID 19405
2-phenothiazin-10-ylxanthen-9-one
CID 130397701

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-dibenzofuran-2-ylisoindole-1,3-dione?
The IUPAC name of 4-amino-2-dibenzofuran-2-ylisoindole-1,3-dione (CID 3093304) is 4-amino-2-dibenzofuran-2-ylisoindole-1,3-dione.
What is the SMILES notation for 4-amino-2-dibenzofuran-2-ylisoindole-1,3-dione?
The canonical SMILES for 4-amino-2-dibenzofuran-2-ylisoindole-1,3-dione is Nc1cccc2c1C(=O)N(c1ccc3oc4ccccc4c3c1)C2=O.
What is the InChIKey of 4-amino-2-dibenzofuran-2-ylisoindole-1,3-dione?
The InChIKey is PJSLUKONKWWCDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12N2O3/c21-15-6-3-5-13-18(15)20(24)22(19(13)23)11-8-9-17-14(10-11)12-4-1-2-7-16(12)25-17/h1-10H,21H2.
What are the key properties of 4-amino-2-dibenzofuran-2-ylisoindole-1,3-dione?
4-amino-2-dibenzofuran-2-ylisoindole-1,3-dione has a molecular weight of 328.33 g/mol, XLogP of 3.97, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-dibenzofuran-2-ylisoindole-1,3-dione is sourced from PubChem (CID 3093304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).