1-(dimethylamino)-4-methoxyanthracene-9,10-dione

C17H15NO3 — CID 12750463

IUPAC1-(dimethylamino)-4-methoxyanthracene-9,10-dione
SMILESCOc1ccc(N(C)C)c2c1C(=O)c1ccccc1C2=O
InChIInChI=1S/C17H15NO3/c1-18(2)12-8-9-13(21-3)15-14(12)16(19)10-6-4-5-7-11(10)17(15)20/h4-9H,1-3H3
InChIKeyOTHLLSXWMNUDQE-UHFFFAOYSA-N
MW281.31 g/mol
LogP2.54
Rot. Bonds2

About 1-(dimethylamino)-4-methoxyanthracene-9,10-dione

1-(dimethylamino)-4-methoxyanthracene-9,10-dione (PubChem CID 12750463) has the molecular formula C17H15NO3 and a molecular weight of 281.31 g/mol. Its IUPAC name is 1-(dimethylamino)-4-methoxyanthracene-9,10-dione.

Molecular Properties

Compound Name1-(dimethylamino)-4-methoxyanthracene-9,10-dione
PubChem CID12750463
Molecular FormulaC17H15NO3
Molecular Weight281.31 g/mol
Exact Mass281.11
IUPAC Name1-(dimethylamino)-4-methoxyanthracene-9,10-dione
SMILESCOc1ccc(N(C)C)c2c1C(=O)c1ccccc1C2=O
InChIInChI=1S/C17H15NO3/c1-18(2)12-8-9-13(21-3)15-14(12)16(19)10-6-4-5-7-11(10)17(15)20/h4-9H,1-3H3
InChIKeyOTHLLSXWMNUDQE-UHFFFAOYSA-N
XLogP2.54
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze 1-(dimethylamino)-4-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

Related Compounds

1-chloro-4-(dimethylamino)anthracene-9,10-dione
CID 14225856
1,4-bis(N-methylanilino)anthracene-9,10-dione
CID 101406322
1-(dimethylamino)-4-(1,1,2,2,3,3,3-heptafluoropropyl)anthracene-9,10-dione
CID 15194752
1,5-dimethoxyfluoren-9-one
CID 19594782
2,3-dimethoxynaphthalene-1,4-dione;ethane
CID 144726564
1,5-dibromo-4-(dimethylamino)anthracene-9,10-dione
CID 70563068
1-(hydroxymethyl)-2,4-dimethoxyanthracene-9,10-dione
CID 86099558
2-(2-bromo-3,6-dimethoxyphenyl)-1-N,1-N,3-N,3-N-tetramethylbenzene-1,3-diamine
CID 171921336
N-[2-[(4-methoxy-9,10-dioxoanthracen-1-yl)amino]ethyl]acetamide
CID 13380581
2-bromo-3-(dimethylamino)-5-methoxynaphthalene-1,4-dione
CID 10425468
1,4-dimethoxy-5H-benzo[b]carbazole-6,11-dione
CID 118713421
N-[4-[formyl(propan-2-yl)amino]-9,10-dioxoanthracen-1-yl]-N-propan-2-ylformamide
CID 88688399

Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)-4-methoxyanthracene-9,10-dione?
The IUPAC name of 1-(dimethylamino)-4-methoxyanthracene-9,10-dione (CID 12750463) is 1-(dimethylamino)-4-methoxyanthracene-9,10-dione.
What is the SMILES notation for 1-(dimethylamino)-4-methoxyanthracene-9,10-dione?
The canonical SMILES for 1-(dimethylamino)-4-methoxyanthracene-9,10-dione is COc1ccc(N(C)C)c2c1C(=O)c1ccccc1C2=O.
What is the InChIKey of 1-(dimethylamino)-4-methoxyanthracene-9,10-dione?
The InChIKey is OTHLLSXWMNUDQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO3/c1-18(2)12-8-9-13(21-3)15-14(12)16(19)10-6-4-5-7-11(10)17(15)20/h4-9H,1-3H3.
What are the key properties of 1-(dimethylamino)-4-methoxyanthracene-9,10-dione?
1-(dimethylamino)-4-methoxyanthracene-9,10-dione has a molecular weight of 281.31 g/mol, XLogP of 2.54, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)-4-methoxyanthracene-9,10-dione is sourced from PubChem (CID 12750463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).