1-hydroxy-3,5,6-trimethoxy-10-methylacridin-9-one

C17H17NO5 — CID 5494828

IUPAC1-hydroxy-3,5,6-trimethoxy-10-methylacridin-9-one
SMILESCOc1cc(O)c2c(=O)c3ccc(OC)c(OC)c3n(C)c2c1
InChIInChI=1S/C17H17NO5/c1-18-11-7-9(21-2)8-12(19)14(11)16(20)10-5-6-13(22-3)17(23-4)15(10)18/h5-8,19H,1-4H3
InChIKeyCHCYJKZBXNSGCG-UHFFFAOYSA-N
MW315.33 g/mol
LogP2.42
Rot. Bonds3

About 1-hydroxy-3,5,6-trimethoxy-10-methylacridin-9-one

1-hydroxy-3,5,6-trimethoxy-10-methylacridin-9-one (PubChem CID 5494828) has the molecular formula C17H17NO5 and a molecular weight of 315.33 g/mol. Its IUPAC name is 1-hydroxy-3,5,6-trimethoxy-10-methylacridin-9-one.

Molecular Properties

Compound Name1-hydroxy-3,5,6-trimethoxy-10-methylacridin-9-one
PubChem CID5494828
Molecular FormulaC17H17NO5
Molecular Weight315.33 g/mol
Exact Mass315.11
IUPAC Name1-hydroxy-3,5,6-trimethoxy-10-methylacridin-9-one
SMILESCOc1cc(O)c2c(=O)c3ccc(OC)c(OC)c3n(C)c2c1
InChIInChI=1S/C17H17NO5/c1-18-11-7-9(21-2)8-12(19)14(11)16(20)10-5-6-13(22-3)17(23-4)15(10)18/h5-8,19H,1-4H3
InChIKeyCHCYJKZBXNSGCG-UHFFFAOYSA-N
XLogP2.42
TPSA69.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 52.42
H-Bond Donors ≤ 51
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-hydroxy-3,5,6-trimethoxy-10-methylacridin-9-one?
The IUPAC name of 1-hydroxy-3,5,6-trimethoxy-10-methylacridin-9-one (CID 5494828) is 1-hydroxy-3,5,6-trimethoxy-10-methylacridin-9-one.
What is the SMILES notation for 1-hydroxy-3,5,6-trimethoxy-10-methylacridin-9-one?
The canonical SMILES for 1-hydroxy-3,5,6-trimethoxy-10-methylacridin-9-one is COc1cc(O)c2c(=O)c3ccc(OC)c(OC)c3n(C)c2c1.
What is the InChIKey of 1-hydroxy-3,5,6-trimethoxy-10-methylacridin-9-one?
The InChIKey is CHCYJKZBXNSGCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO5/c1-18-11-7-9(21-2)8-12(19)14(11)16(20)10-5-6-13(22-3)17(23-4)15(10)18/h5-8,19H,1-4H3.
What are the key properties of 1-hydroxy-3,5,6-trimethoxy-10-methylacridin-9-one?
1-hydroxy-3,5,6-trimethoxy-10-methylacridin-9-one has a molecular weight of 315.33 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-3,5,6-trimethoxy-10-methylacridin-9-one is sourced from PubChem (CID 5494828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).