1,6-dihydroxy-3-methoxy-10-methylacridin-9-one

C15H13NO4 — CID 10468408

IUPAC1,6-dihydroxy-3-methoxy-10-methylacridin-9-one
SMILESCOc1cc(O)c2c(=O)c3ccc(O)cc3n(C)c2c1
InChIInChI=1S/C15H13NO4/c1-16-11-5-8(17)3-4-10(11)15(19)14-12(16)6-9(20-2)7-13(14)18/h3-7,17-18H,1-2H3
InChIKeyULFQWNWPHHCZAJ-UHFFFAOYSA-N
MW271.27 g/mol
LogP2.11
Rot. Bonds1

About 1,6-dihydroxy-3-methoxy-10-methylacridin-9-one

1,6-dihydroxy-3-methoxy-10-methylacridin-9-one (PubChem CID 10468408) has the molecular formula C15H13NO4 and a molecular weight of 271.27 g/mol. Its IUPAC name is 1,6-dihydroxy-3-methoxy-10-methylacridin-9-one.

Molecular Properties

Compound Name1,6-dihydroxy-3-methoxy-10-methylacridin-9-one
PubChem CID10468408
Molecular FormulaC15H13NO4
Molecular Weight271.27 g/mol
Exact Mass271.08
IUPAC Name1,6-dihydroxy-3-methoxy-10-methylacridin-9-one
SMILESCOc1cc(O)c2c(=O)c3ccc(O)cc3n(C)c2c1
InChIInChI=1S/C15H13NO4/c1-16-11-5-8(17)3-4-10(11)15(19)14-12(16)6-9(20-2)7-13(14)18/h3-7,17-18H,1-2H3
InChIKeyULFQWNWPHHCZAJ-UHFFFAOYSA-N
XLogP2.11
TPSA71.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.27
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 1,6-dihydroxy-3-methoxy-10-methylacridin-9-one?
The IUPAC name of 1,6-dihydroxy-3-methoxy-10-methylacridin-9-one (CID 10468408) is 1,6-dihydroxy-3-methoxy-10-methylacridin-9-one.
What is the SMILES notation for 1,6-dihydroxy-3-methoxy-10-methylacridin-9-one?
The canonical SMILES for 1,6-dihydroxy-3-methoxy-10-methylacridin-9-one is COc1cc(O)c2c(=O)c3ccc(O)cc3n(C)c2c1.
What is the InChIKey of 1,6-dihydroxy-3-methoxy-10-methylacridin-9-one?
The InChIKey is ULFQWNWPHHCZAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO4/c1-16-11-5-8(17)3-4-10(11)15(19)14-12(16)6-9(20-2)7-13(14)18/h3-7,17-18H,1-2H3.
What are the key properties of 1,6-dihydroxy-3-methoxy-10-methylacridin-9-one?
1,6-dihydroxy-3-methoxy-10-methylacridin-9-one has a molecular weight of 271.27 g/mol, XLogP of 2.11, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dihydroxy-3-methoxy-10-methylacridin-9-one is sourced from PubChem (CID 10468408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).