1,4-diaminoanthracene-9,10-diol

C14H12N2O2 — CID 21402

IUPAC1,4-diaminoanthracene-9,10-diol
SMILESNc1ccc(N)c2c(O)c3ccccc3c(O)c12
InChIInChI=1S/C14H12N2O2/c15-9-5-6-10(16)12-11(9)13(17)7-3-1-2-4-8(7)14(12)18/h1-6,17-18H,15-16H2
InChIKeyWGOXABJBDOYQFK-UHFFFAOYSA-N
MW240.26 g/mol
LogP2.57
Rot. Bonds

About 1,4-diaminoanthracene-9,10-diol

1,4-diaminoanthracene-9,10-diol (PubChem CID 21402) has the molecular formula C14H12N2O2 and a molecular weight of 240.26 g/mol. Its IUPAC name is 1,4-diaminoanthracene-9,10-diol.

Molecular Properties

Compound Name1,4-diaminoanthracene-9,10-diol
PubChem CID21402
Molecular FormulaC14H12N2O2
Molecular Weight240.26 g/mol
Exact Mass240.09
IUPAC Name1,4-diaminoanthracene-9,10-diol
SMILESNc1ccc(N)c2c(O)c3ccccc3c(O)c12
InChIInChI=1S/C14H12N2O2/c15-9-5-6-10(16)12-11(9)13(17)7-3-1-2-4-8(7)14(12)18/h1-6,17-18H,15-16H2
InChIKeyWGOXABJBDOYQFK-UHFFFAOYSA-N
XLogP2.57
TPSA92.50 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 52.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 1,4-diaminoanthracene-9,10-diol 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

1-Amino-4-naphthol
CID 17815
Vitamin K5
CID 6754
4-Amino-1-naphthol hydrochloride
CID 2723858
1-Naphthalenol, 5-amino-, hydrochloride (1:1)
CID 113052
5-Amino-1-naphthol
CID 65746
1-(3-Aminophenyl)-6-(3-hydroxyphenyl)-2-naphthol
CID 25074167
Vitamin K5 hydrochloride
CID 67225
Hydrazinecarbothioamide, 2-(2-methyl-4-oxo-1(4H)-naphthalenylidene)-
CID 3000675
8-Aminonaphthol
CID 94906
(R)-(+)-2'-Amino-1,1'-binaphthalen-2-ol
CID 3617797
4-Amino-3-methyl-1-naphthalenol
CID 66524
10-Nitrosoanthracen-9-ol
CID 417151

Frequently Asked Questions

What is the IUPAC name of 1,4-diaminoanthracene-9,10-diol?
The IUPAC name of 1,4-diaminoanthracene-9,10-diol (CID 21402) is 1,4-diaminoanthracene-9,10-diol.
What is the SMILES notation for 1,4-diaminoanthracene-9,10-diol?
The canonical SMILES for 1,4-diaminoanthracene-9,10-diol is Nc1ccc(N)c2c(O)c3ccccc3c(O)c12.
What is the InChIKey of 1,4-diaminoanthracene-9,10-diol?
The InChIKey is WGOXABJBDOYQFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2/c15-9-5-6-10(16)12-11(9)13(17)7-3-1-2-4-8(7)14(12)18/h1-6,17-18H,15-16H2.
What are the key properties of 1,4-diaminoanthracene-9,10-diol?
1,4-diaminoanthracene-9,10-diol has a molecular weight of 240.26 g/mol, XLogP of 2.57, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-diaminoanthracene-9,10-diol is sourced from PubChem (CID 21402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).