2,6-diaminoanthracene-9,10-dione

C14H10N2O2 — CID 8557

IUPAC2,6-diaminoanthracene-9,10-dione
SMILESNc1ccc2c(c1)C(=O)c1ccc(N)cc1C2=O
InChIInChI=1S/C14H10N2O2/c15-7-1-3-9-11(5-7)14(18)10-4-2-8(16)6-12(10)13(9)17/h1-6H,15-16H2
InChIKeyWQOWBWVMZPPPGX-UHFFFAOYSA-N
MW238.25 g/mol
LogP1.63
Rot. Bonds

About 2,6-diaminoanthracene-9,10-dione

2,6-diaminoanthracene-9,10-dione (PubChem CID 8557) has the molecular formula C14H10N2O2 and a molecular weight of 238.25 g/mol. Its IUPAC name is 2,6-diaminoanthracene-9,10-dione.

Molecular Properties

Compound Name2,6-diaminoanthracene-9,10-dione
PubChem CID8557
Molecular FormulaC14H10N2O2
Molecular Weight238.25 g/mol
Exact Mass238.07
IUPAC Name2,6-diaminoanthracene-9,10-dione
SMILESNc1ccc2c(c1)C(=O)c1ccc(N)cc1C2=O
InChIInChI=1S/C14H10N2O2/c15-7-1-3-9-11(5-7)14(18)10-4-2-8(16)6-12(10)13(9)17/h1-6H,15-16H2
InChIKeyWQOWBWVMZPPPGX-UHFFFAOYSA-N
XLogP1.63
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2,6-diaminoanthracene-9,10-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 2,6-diaminoanthracene-9,10-dione?
The IUPAC name of 2,6-diaminoanthracene-9,10-dione (CID 8557) is 2,6-diaminoanthracene-9,10-dione.
What is the SMILES notation for 2,6-diaminoanthracene-9,10-dione?
The canonical SMILES for 2,6-diaminoanthracene-9,10-dione is Nc1ccc2c(c1)C(=O)c1ccc(N)cc1C2=O.
What is the InChIKey of 2,6-diaminoanthracene-9,10-dione?
The InChIKey is WQOWBWVMZPPPGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O2/c15-7-1-3-9-11(5-7)14(18)10-4-2-8(16)6-12(10)13(9)17/h1-6H,15-16H2.
What are the key properties of 2,6-diaminoanthracene-9,10-dione?
2,6-diaminoanthracene-9,10-dione has a molecular weight of 238.25 g/mol, XLogP of 1.63, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diaminoanthracene-9,10-dione is sourced from PubChem (CID 8557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).