1-hydroxy-2,3-dimethoxy-10H-acridin-9-one

C15H13NO4 — CID 5376586

IUPAC1-hydroxy-2,3-dimethoxy-10H-acridin-9-one
SMILESCOc1cc2[nH]c3ccccc3c(=O)c2c(O)c1OC
InChIInChI=1S/C15H13NO4/c1-19-11-7-10-12(14(18)15(11)20-2)13(17)8-5-3-4-6-9(8)16-10/h3-7,18H,1-2H3,(H,16,17)
InChIKeyCYPILPIHKOUTNO-UHFFFAOYSA-N
MW271.27 g/mol
LogP2.40
Rot. Bonds2

About 1-hydroxy-2,3-dimethoxy-10H-acridin-9-one

1-hydroxy-2,3-dimethoxy-10H-acridin-9-one (PubChem CID 5376586) has the molecular formula C15H13NO4 and a molecular weight of 271.27 g/mol. Its IUPAC name is 1-hydroxy-2,3-dimethoxy-10H-acridin-9-one.

Molecular Properties

Compound Name1-hydroxy-2,3-dimethoxy-10H-acridin-9-one
PubChem CID5376586
Molecular FormulaC15H13NO4
Molecular Weight271.27 g/mol
Exact Mass271.08
IUPAC Name1-hydroxy-2,3-dimethoxy-10H-acridin-9-one
SMILESCOc1cc2[nH]c3ccccc3c(=O)c2c(O)c1OC
InChIInChI=1S/C15H13NO4/c1-19-11-7-10-12(14(18)15(11)20-2)13(17)8-5-3-4-6-9(8)16-10/h3-7,18H,1-2H3,(H,16,17)
InChIKeyCYPILPIHKOUTNO-UHFFFAOYSA-N
XLogP2.40
TPSA71.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.27
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-hydroxy-2,3-dimethoxy-10H-acridin-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

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-2,3-dimethoxy-10H-acridin-9-one?
The IUPAC name of 1-hydroxy-2,3-dimethoxy-10H-acridin-9-one (CID 5376586) is 1-hydroxy-2,3-dimethoxy-10H-acridin-9-one.
What is the SMILES notation for 1-hydroxy-2,3-dimethoxy-10H-acridin-9-one?
The canonical SMILES for 1-hydroxy-2,3-dimethoxy-10H-acridin-9-one is COc1cc2[nH]c3ccccc3c(=O)c2c(O)c1OC.
What is the InChIKey of 1-hydroxy-2,3-dimethoxy-10H-acridin-9-one?
The InChIKey is CYPILPIHKOUTNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO4/c1-19-11-7-10-12(14(18)15(11)20-2)13(17)8-5-3-4-6-9(8)16-10/h3-7,18H,1-2H3,(H,16,17).
What are the key properties of 1-hydroxy-2,3-dimethoxy-10H-acridin-9-one?
1-hydroxy-2,3-dimethoxy-10H-acridin-9-one has a molecular weight of 271.27 g/mol, XLogP of 2.40, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-2,3-dimethoxy-10H-acridin-9-one is sourced from PubChem (CID 5376586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).