1-hydroxy-3-methoxy-10H-acridin-9-one

C14H11NO3 — CID 13250463

IUPAC1-hydroxy-3-methoxy-10H-acridin-9-one
SMILESCOc1cc(O)c2c(=O)c3ccccc3[nH]c2c1
InChIInChI=1S/C14H11NO3/c1-18-8-6-11-13(12(16)7-8)14(17)9-4-2-3-5-10(9)15-11/h2-7,16H,1H3,(H,15,17)
InChIKeyLJHHYEQRALVSLL-UHFFFAOYSA-N
MW241.25 g/mol
LogP2.40
Rot. Bonds1

About 1-hydroxy-3-methoxy-10H-acridin-9-one

1-hydroxy-3-methoxy-10H-acridin-9-one (PubChem CID 13250463) has the molecular formula C14H11NO3 and a molecular weight of 241.25 g/mol. Its IUPAC name is 1-hydroxy-3-methoxy-10H-acridin-9-one.

Molecular Properties

Compound Name1-hydroxy-3-methoxy-10H-acridin-9-one
PubChem CID13250463
Molecular FormulaC14H11NO3
Molecular Weight241.25 g/mol
Exact Mass241.07
IUPAC Name1-hydroxy-3-methoxy-10H-acridin-9-one
SMILESCOc1cc(O)c2c(=O)c3ccccc3[nH]c2c1
InChIInChI=1S/C14H11NO3/c1-18-8-6-11-13(12(16)7-8)14(17)9-4-2-3-5-10(9)15-11/h2-7,16H,1H3,(H,15,17)
InChIKeyLJHHYEQRALVSLL-UHFFFAOYSA-N
XLogP2.40
TPSA62.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-10H-acridin-9-one?
The IUPAC name of 1-hydroxy-3-methoxy-10H-acridin-9-one (CID 13250463) is 1-hydroxy-3-methoxy-10H-acridin-9-one.
What is the SMILES notation for 1-hydroxy-3-methoxy-10H-acridin-9-one?
The canonical SMILES for 1-hydroxy-3-methoxy-10H-acridin-9-one is COc1cc(O)c2c(=O)c3ccccc3[nH]c2c1.
What is the InChIKey of 1-hydroxy-3-methoxy-10H-acridin-9-one?
The InChIKey is LJHHYEQRALVSLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO3/c1-18-8-6-11-13(12(16)7-8)14(17)9-4-2-3-5-10(9)15-11/h2-7,16H,1H3,(H,15,17).
What are the key properties of 1-hydroxy-3-methoxy-10H-acridin-9-one?
1-hydroxy-3-methoxy-10H-acridin-9-one has a molecular weight of 241.25 g/mol, XLogP of 2.40, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-3-methoxy-10H-acridin-9-one is sourced from PubChem (CID 13250463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).