1-amino-4-hydroxy-2-methoxyanthracene-9,10-dione

C15H11NO4 — CID 16927

IUPAC1-amino-4-hydroxy-2-methoxyanthracene-9,10-dione
SMILESCOc1cc(O)c2c(c1N)C(=O)c1ccccc1C2=O
InChIInChI=1S/C15H11NO4/c1-20-10-6-9(17)11-12(13(10)16)15(19)8-5-3-2-4-7(8)14(11)18/h2-6,17H,16H2,1H3
InChIKeyWSPPHHAIMCTKNN-UHFFFAOYSA-N
MW269.26 g/mol
LogP1.76
Rot. Bonds1

About 1-amino-4-hydroxy-2-methoxyanthracene-9,10-dione

1-amino-4-hydroxy-2-methoxyanthracene-9,10-dione (PubChem CID 16927) has the molecular formula C15H11NO4 and a molecular weight of 269.26 g/mol. Its IUPAC name is 1-amino-4-hydroxy-2-methoxyanthracene-9,10-dione.

Molecular Properties

Compound Name1-amino-4-hydroxy-2-methoxyanthracene-9,10-dione
PubChem CID16927
Molecular FormulaC15H11NO4
Molecular Weight269.26 g/mol
Exact Mass269.07
IUPAC Name1-amino-4-hydroxy-2-methoxyanthracene-9,10-dione
SMILESCOc1cc(O)c2c(c1N)C(=O)c1ccccc1C2=O
InChIInChI=1S/C15H11NO4/c1-20-10-6-9(17)11-12(13(10)16)15(19)8-5-3-2-4-7(8)14(11)18/h2-6,17H,16H2,1H3
InChIKeyWSPPHHAIMCTKNN-UHFFFAOYSA-N
XLogP1.76
TPSA89.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-amino-4-hydroxy-2-methoxyanthracene-9,10-dione?
The IUPAC name of 1-amino-4-hydroxy-2-methoxyanthracene-9,10-dione (CID 16927) is 1-amino-4-hydroxy-2-methoxyanthracene-9,10-dione.
What is the SMILES notation for 1-amino-4-hydroxy-2-methoxyanthracene-9,10-dione?
The canonical SMILES for 1-amino-4-hydroxy-2-methoxyanthracene-9,10-dione is COc1cc(O)c2c(c1N)C(=O)c1ccccc1C2=O.
What is the InChIKey of 1-amino-4-hydroxy-2-methoxyanthracene-9,10-dione?
The InChIKey is WSPPHHAIMCTKNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO4/c1-20-10-6-9(17)11-12(13(10)16)15(19)8-5-3-2-4-7(8)14(11)18/h2-6,17H,16H2,1H3.
What are the key properties of 1-amino-4-hydroxy-2-methoxyanthracene-9,10-dione?
1-amino-4-hydroxy-2-methoxyanthracene-9,10-dione has a molecular weight of 269.26 g/mol, XLogP of 1.76, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-4-hydroxy-2-methoxyanthracene-9,10-dione is sourced from PubChem (CID 16927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).