1-hydroxy-3-methoxy-10-methylacridin-9-one

C15H13NO3 — CID 5377412

IUPAC1-hydroxy-3-methoxy-10-methylacridin-9-one
SMILESCOc1cc(O)c2c(=O)c3ccccc3n(C)c2c1
InChIInChI=1S/C15H13NO3/c1-16-11-6-4-3-5-10(11)15(18)14-12(16)7-9(19-2)8-13(14)17/h3-8,17H,1-2H3
InChIKeyOCUBFJMZYYIVBO-UHFFFAOYSA-N
MW255.27 g/mol
LogP2.41
Rot. Bonds1

About 1-hydroxy-3-methoxy-10-methylacridin-9-one

1-hydroxy-3-methoxy-10-methylacridin-9-one (PubChem CID 5377412) has the molecular formula C15H13NO3 and a molecular weight of 255.27 g/mol. Its IUPAC name is 1-hydroxy-3-methoxy-10-methylacridin-9-one.

Molecular Properties

Compound Name1-hydroxy-3-methoxy-10-methylacridin-9-one
PubChem CID5377412
Molecular FormulaC15H13NO3
Molecular Weight255.27 g/mol
Exact Mass255.09
IUPAC Name1-hydroxy-3-methoxy-10-methylacridin-9-one
SMILESCOc1cc(O)c2c(=O)c3ccccc3n(C)c2c1
InChIInChI=1S/C15H13NO3/c1-16-11-6-4-3-5-10(11)15(18)14-12(16)7-9(19-2)8-13(14)17/h3-8,17H,1-2H3
InChIKeyOCUBFJMZYYIVBO-UHFFFAOYSA-N
XLogP2.41
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-3-methoxy-10-methylacridin-9-one?
The IUPAC name of 1-hydroxy-3-methoxy-10-methylacridin-9-one (CID 5377412) is 1-hydroxy-3-methoxy-10-methylacridin-9-one.
What is the SMILES notation for 1-hydroxy-3-methoxy-10-methylacridin-9-one?
The canonical SMILES for 1-hydroxy-3-methoxy-10-methylacridin-9-one is COc1cc(O)c2c(=O)c3ccccc3n(C)c2c1.
What is the InChIKey of 1-hydroxy-3-methoxy-10-methylacridin-9-one?
The InChIKey is OCUBFJMZYYIVBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO3/c1-16-11-6-4-3-5-10(11)15(18)14-12(16)7-9(19-2)8-13(14)17/h3-8,17H,1-2H3.
What are the key properties of 1-hydroxy-3-methoxy-10-methylacridin-9-one?
1-hydroxy-3-methoxy-10-methylacridin-9-one has a molecular weight of 255.27 g/mol, XLogP of 2.41, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-3-methoxy-10-methylacridin-9-one is sourced from PubChem (CID 5377412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).