1,6-dihydroxy-3,5-dimethoxy-10-methylacridin-9-one

C16H15NO5 — CID 5494827

IUPAC1,6-dihydroxy-3,5-dimethoxy-10-methylacridin-9-one
SMILESCOc1cc(O)c2c(=O)c3ccc(O)c(OC)c3n(C)c2c1
InChIInChI=1S/C16H15NO5/c1-17-10-6-8(21-2)7-12(19)13(10)15(20)9-4-5-11(18)16(22-3)14(9)17/h4-7,18-19H,1-3H3
InChIKeyOQMSMWRXIZYYNR-UHFFFAOYSA-N
MW301.30 g/mol
LogP2.12
Rot. Bonds2

About 1,6-dihydroxy-3,5-dimethoxy-10-methylacridin-9-one

1,6-dihydroxy-3,5-dimethoxy-10-methylacridin-9-one (PubChem CID 5494827) has the molecular formula C16H15NO5 and a molecular weight of 301.30 g/mol. Its IUPAC name is 1,6-dihydroxy-3,5-dimethoxy-10-methylacridin-9-one.

Molecular Properties

Compound Name1,6-dihydroxy-3,5-dimethoxy-10-methylacridin-9-one
PubChem CID5494827
Molecular FormulaC16H15NO5
Molecular Weight301.30 g/mol
Exact Mass301.10
IUPAC Name1,6-dihydroxy-3,5-dimethoxy-10-methylacridin-9-one
SMILESCOc1cc(O)c2c(=O)c3ccc(O)c(OC)c3n(C)c2c1
InChIInChI=1S/C16H15NO5/c1-17-10-6-8(21-2)7-12(19)13(10)15(20)9-4-5-11(18)16(22-3)14(9)17/h4-7,18-19H,1-3H3
InChIKeyOQMSMWRXIZYYNR-UHFFFAOYSA-N
XLogP2.12
TPSA80.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.30
LogP ≤ 52.12
H-Bond Donors ≤ 52
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 1,6-dihydroxy-3,5-dimethoxy-10-methylacridin-9-one?
The IUPAC name of 1,6-dihydroxy-3,5-dimethoxy-10-methylacridin-9-one (CID 5494827) is 1,6-dihydroxy-3,5-dimethoxy-10-methylacridin-9-one.
What is the SMILES notation for 1,6-dihydroxy-3,5-dimethoxy-10-methylacridin-9-one?
The canonical SMILES for 1,6-dihydroxy-3,5-dimethoxy-10-methylacridin-9-one is COc1cc(O)c2c(=O)c3ccc(O)c(OC)c3n(C)c2c1.
What is the InChIKey of 1,6-dihydroxy-3,5-dimethoxy-10-methylacridin-9-one?
The InChIKey is OQMSMWRXIZYYNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO5/c1-17-10-6-8(21-2)7-12(19)13(10)15(20)9-4-5-11(18)16(22-3)14(9)17/h4-7,18-19H,1-3H3.
What are the key properties of 1,6-dihydroxy-3,5-dimethoxy-10-methylacridin-9-one?
1,6-dihydroxy-3,5-dimethoxy-10-methylacridin-9-one has a molecular weight of 301.30 g/mol, XLogP of 2.12, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dihydroxy-3,5-dimethoxy-10-methylacridin-9-one is sourced from PubChem (CID 5494827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).