1,3,5-trihydroxy-4-methoxy-10-methylacridin-9-one

C15H13NO5 — CID 10016895

IUPAC1,3,5-trihydroxy-4-methoxy-10-methylacridin-9-one
SMILESCOc1c(O)cc(O)c2c(=O)c3cccc(O)c3n(C)c12
InChIInChI=1S/C15H13NO5/c1-16-12-7(4-3-5-8(12)17)14(20)11-9(18)6-10(19)15(21-2)13(11)16/h3-6,17-19H,1-2H3
InChIKeyQEGXAAUCDUFHPJ-UHFFFAOYSA-N
MW287.27 g/mol
LogP1.82
Rot. Bonds1

About 1,3,5-trihydroxy-4-methoxy-10-methylacridin-9-one

1,3,5-trihydroxy-4-methoxy-10-methylacridin-9-one (PubChem CID 10016895) has the molecular formula C15H13NO5 and a molecular weight of 287.27 g/mol. Its IUPAC name is 1,3,5-trihydroxy-4-methoxy-10-methylacridin-9-one.

Molecular Properties

Compound Name1,3,5-trihydroxy-4-methoxy-10-methylacridin-9-one
PubChem CID10016895
Molecular FormulaC15H13NO5
Molecular Weight287.27 g/mol
Exact Mass287.08
IUPAC Name1,3,5-trihydroxy-4-methoxy-10-methylacridin-9-one
SMILESCOc1c(O)cc(O)c2c(=O)c3cccc(O)c3n(C)c12
InChIInChI=1S/C15H13NO5/c1-16-12-7(4-3-5-8(12)17)14(20)11-9(18)6-10(19)15(21-2)13(11)16/h3-6,17-19H,1-2H3
InChIKeyQEGXAAUCDUFHPJ-UHFFFAOYSA-N
XLogP1.82
TPSA91.92 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.27
LogP ≤ 51.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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 1,3,5-trihydroxy-4-methoxy-10-methylacridin-9-one?
The IUPAC name of 1,3,5-trihydroxy-4-methoxy-10-methylacridin-9-one (CID 10016895) is 1,3,5-trihydroxy-4-methoxy-10-methylacridin-9-one.
What is the SMILES notation for 1,3,5-trihydroxy-4-methoxy-10-methylacridin-9-one?
The canonical SMILES for 1,3,5-trihydroxy-4-methoxy-10-methylacridin-9-one is COc1c(O)cc(O)c2c(=O)c3cccc(O)c3n(C)c12.
What is the InChIKey of 1,3,5-trihydroxy-4-methoxy-10-methylacridin-9-one?
The InChIKey is QEGXAAUCDUFHPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO5/c1-16-12-7(4-3-5-8(12)17)14(20)11-9(18)6-10(19)15(21-2)13(11)16/h3-6,17-19H,1-2H3.
What are the key properties of 1,3,5-trihydroxy-4-methoxy-10-methylacridin-9-one?
1,3,5-trihydroxy-4-methoxy-10-methylacridin-9-one has a molecular weight of 287.27 g/mol, XLogP of 1.82, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-trihydroxy-4-methoxy-10-methylacridin-9-one is sourced from PubChem (CID 10016895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).