1,3-dihydroxy-2,4-dimethoxy-10-methylacridin-9-one

C16H15NO5 — CID 102480133

IUPAC1,3-dihydroxy-2,4-dimethoxy-10-methylacridin-9-one
SMILESCOc1c(O)c(OC)c2c(c1O)c(=O)c1ccccc1n2C
InChIInChI=1S/C16H15NO5/c1-17-9-7-5-4-6-8(9)12(18)10-11(17)15(21-2)14(20)16(22-3)13(10)19/h4-7,19-20H,1-3H3
InChIKeyWHMCLWSSPJMKDA-UHFFFAOYSA-N
MW301.30 g/mol
LogP2.12
Rot. Bonds2

About 1,3-dihydroxy-2,4-dimethoxy-10-methylacridin-9-one

1,3-dihydroxy-2,4-dimethoxy-10-methylacridin-9-one (PubChem CID 102480133) has the molecular formula C16H15NO5 and a molecular weight of 301.30 g/mol. Its IUPAC name is 1,3-dihydroxy-2,4-dimethoxy-10-methylacridin-9-one.

Molecular Properties

Compound Name1,3-dihydroxy-2,4-dimethoxy-10-methylacridin-9-one
PubChem CID102480133
Molecular FormulaC16H15NO5
Molecular Weight301.30 g/mol
Exact Mass301.10
IUPAC Name1,3-dihydroxy-2,4-dimethoxy-10-methylacridin-9-one
SMILESCOc1c(O)c(OC)c2c(c1O)c(=O)c1ccccc1n2C
InChIInChI=1S/C16H15NO5/c1-17-9-7-5-4-6-8(9)12(18)10-11(17)15(21-2)14(20)16(22-3)13(10)19/h4-7,19-20H,1-3H3
InChIKeyWHMCLWSSPJMKDA-UHFFFAOYSA-N
XLogP2.12
TPSA80.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.30
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1,3-dihydroxy-2,4-dimethoxy-10-methylacridin-9-one 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-hydroxy-2,3-dimethoxy-10-methylacridin-9-one
CID 5281832
[(4R)-5-hydroxy-12-methoxy-2,2,11-trimethyl-6-oxo-3,4-dihydropyrano[3,2-b]acridin-4-yl] acetate
CID 102137017
1-hydroxy-2-iodo-3-methoxy-10-methylacridin-9-one
CID 14846764
azane;1-hydroxy-3-methoxy-10-methylacridin-9-one
CID 87099944
ethane;3-hydroxy-1,2-dimethylquinolin-4-one
CID 91289410
5-ethoxy-4-methoxy-11-methyl-[1,3]dioxolo[4,5-c]acridin-6-one
CID 628514
6-hydroxy-1,2,3,4,5-pentamethoxy-10-methylacridin-9-one
CID 15662869
6-methoxy-12-methylbenzo[b][1,10]phenanthrolin-7-one
CID 11077129
ethane;4-hydroxy-1,3-dimethylquinolin-2-one
CID 91565927
5,6,11,12-tetramethylindolo[3,2-b]carbazole
CID 134194403
3-butoxy-4-hydroxy-1-methylquinolin-2-one
CID 140995416
1,2-dihydroxy-6-methoxy-3,3,12-trimethyl-1,2-dihydropyrano[2,3-c]acridin-7-one
CID 21125486

Frequently Asked Questions

What is the IUPAC name of 1,3-dihydroxy-2,4-dimethoxy-10-methylacridin-9-one?
The IUPAC name of 1,3-dihydroxy-2,4-dimethoxy-10-methylacridin-9-one (CID 102480133) is 1,3-dihydroxy-2,4-dimethoxy-10-methylacridin-9-one.
What is the SMILES notation for 1,3-dihydroxy-2,4-dimethoxy-10-methylacridin-9-one?
The canonical SMILES for 1,3-dihydroxy-2,4-dimethoxy-10-methylacridin-9-one is COc1c(O)c(OC)c2c(c1O)c(=O)c1ccccc1n2C.
What is the InChIKey of 1,3-dihydroxy-2,4-dimethoxy-10-methylacridin-9-one?
The InChIKey is WHMCLWSSPJMKDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO5/c1-17-9-7-5-4-6-8(9)12(18)10-11(17)15(21-2)14(20)16(22-3)13(10)19/h4-7,19-20H,1-3H3.
What are the key properties of 1,3-dihydroxy-2,4-dimethoxy-10-methylacridin-9-one?
1,3-dihydroxy-2,4-dimethoxy-10-methylacridin-9-one has a molecular weight of 301.30 g/mol, XLogP of 2.12, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dihydroxy-2,4-dimethoxy-10-methylacridin-9-one is sourced from PubChem (CID 102480133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).