2-amino-5-hydroxybenzo[de]isoquinoline-1,3-dione

C12H8N2O3 — CID 2876369

IUPAC2-amino-5-hydroxybenzo[de]isoquinoline-1,3-dione
SMILESNN1C(=O)c2cccc3cc(O)cc(c23)C1=O
InChIInChI=1S/C12H8N2O3/c13-14-11(16)8-3-1-2-6-4-7(15)5-9(10(6)8)12(14)17/h1-5,15H,13H2
InChIKeyIGDASURZQZXOAY-UHFFFAOYSA-N
MW228.21 g/mol
LogP1.02
Rot. Bonds

About 2-amino-5-hydroxybenzo[de]isoquinoline-1,3-dione

2-amino-5-hydroxybenzo[de]isoquinoline-1,3-dione (PubChem CID 2876369) has the molecular formula C12H8N2O3 and a molecular weight of 228.21 g/mol. Its IUPAC name is 2-amino-5-hydroxybenzo[de]isoquinoline-1,3-dione.

Molecular Properties

Compound Name2-amino-5-hydroxybenzo[de]isoquinoline-1,3-dione
PubChem CID2876369
Molecular FormulaC12H8N2O3
Molecular Weight228.21 g/mol
Exact Mass228.05
IUPAC Name2-amino-5-hydroxybenzo[de]isoquinoline-1,3-dione
SMILESNN1C(=O)c2cccc3cc(O)cc(c23)C1=O
InChIInChI=1S/C12H8N2O3/c13-14-11(16)8-3-1-2-6-4-7(15)5-9(10(6)8)12(14)17/h1-5,15H,13H2
InChIKeyIGDASURZQZXOAY-UHFFFAOYSA-N
XLogP1.02
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.21
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-amino-5-hydroxybenzo[de]isoquinoline-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

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-hydroxybenzo[de]isoquinoline-1,3-dione?
The IUPAC name of 2-amino-5-hydroxybenzo[de]isoquinoline-1,3-dione (CID 2876369) is 2-amino-5-hydroxybenzo[de]isoquinoline-1,3-dione.
What is the SMILES notation for 2-amino-5-hydroxybenzo[de]isoquinoline-1,3-dione?
The canonical SMILES for 2-amino-5-hydroxybenzo[de]isoquinoline-1,3-dione is NN1C(=O)c2cccc3cc(O)cc(c23)C1=O.
What is the InChIKey of 2-amino-5-hydroxybenzo[de]isoquinoline-1,3-dione?
The InChIKey is IGDASURZQZXOAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2O3/c13-14-11(16)8-3-1-2-6-4-7(15)5-9(10(6)8)12(14)17/h1-5,15H,13H2.
What are the key properties of 2-amino-5-hydroxybenzo[de]isoquinoline-1,3-dione?
2-amino-5-hydroxybenzo[de]isoquinoline-1,3-dione has a molecular weight of 228.21 g/mol, XLogP of 1.02, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-hydroxybenzo[de]isoquinoline-1,3-dione is sourced from PubChem (CID 2876369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).