2-amino-3-methoxyanthracene-9,10-dione

C15H11NO3 — CID 71717607

IUPAC2-amino-3-methoxyanthracene-9,10-dione
SMILESCOc1cc2c(cc1N)C(=O)c1ccccc1C2=O
InChIInChI=1S/C15H11NO3/c1-19-13-7-11-10(6-12(13)16)14(17)8-4-2-3-5-9(8)15(11)18/h2-7H,16H2,1H3
InChIKeyNWBQSTLSGBGAKG-UHFFFAOYSA-N
MW253.26 g/mol
LogP2.05
Rot. Bonds1

About 2-amino-3-methoxyanthracene-9,10-dione

2-amino-3-methoxyanthracene-9,10-dione (PubChem CID 71717607) has the molecular formula C15H11NO3 and a molecular weight of 253.26 g/mol. Its IUPAC name is 2-amino-3-methoxyanthracene-9,10-dione.

Molecular Properties

Compound Name2-amino-3-methoxyanthracene-9,10-dione
PubChem CID71717607
Molecular FormulaC15H11NO3
Molecular Weight253.26 g/mol
Exact Mass253.07
IUPAC Name2-amino-3-methoxyanthracene-9,10-dione
SMILESCOc1cc2c(cc1N)C(=O)c1ccccc1C2=O
InChIInChI=1S/C15H11NO3/c1-19-13-7-11-10(6-12(13)16)14(17)8-4-2-3-5-9(8)15(11)18/h2-7H,16H2,1H3
InChIKeyNWBQSTLSGBGAKG-UHFFFAOYSA-N
XLogP2.05
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 52.05
H-Bond Donors ≤ 51
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-amino-3-methoxyanthracene-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-amino-3-methoxyanthracene-9,10-dione?
The IUPAC name of 2-amino-3-methoxyanthracene-9,10-dione (CID 71717607) is 2-amino-3-methoxyanthracene-9,10-dione.
What is the SMILES notation for 2-amino-3-methoxyanthracene-9,10-dione?
The canonical SMILES for 2-amino-3-methoxyanthracene-9,10-dione is COc1cc2c(cc1N)C(=O)c1ccccc1C2=O.
What is the InChIKey of 2-amino-3-methoxyanthracene-9,10-dione?
The InChIKey is NWBQSTLSGBGAKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO3/c1-19-13-7-11-10(6-12(13)16)14(17)8-4-2-3-5-9(8)15(11)18/h2-7H,16H2,1H3.
What are the key properties of 2-amino-3-methoxyanthracene-9,10-dione?
2-amino-3-methoxyanthracene-9,10-dione has a molecular weight of 253.26 g/mol, XLogP of 2.05, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methoxyanthracene-9,10-dione is sourced from PubChem (CID 71717607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).