1-hydroxy-2,3-dimethoxy-10-methylacridin-9-one

C16H15NO4 — CID 5281832

IUPAC1-hydroxy-2,3-dimethoxy-10-methylacridin-9-one
SMILESCOc1cc2c(c(O)c1OC)c(=O)c1ccccc1n2C
InChIInChI=1S/C16H15NO4/c1-17-10-7-5-4-6-9(10)14(18)13-11(17)8-12(20-2)16(21-3)15(13)19/h4-8,19H,1-3H3
InChIKeyATBZZQPALSPNMF-UHFFFAOYSA-N
MW285.30 g/mol
LogP2.41
Rot. Bonds2

About 1-hydroxy-2,3-dimethoxy-10-methylacridin-9-one

1-hydroxy-2,3-dimethoxy-10-methylacridin-9-one (PubChem CID 5281832) has the molecular formula C16H15NO4 and a molecular weight of 285.30 g/mol. Its IUPAC name is 1-hydroxy-2,3-dimethoxy-10-methylacridin-9-one.

Molecular Properties

Compound Name1-hydroxy-2,3-dimethoxy-10-methylacridin-9-one
PubChem CID5281832
Molecular FormulaC16H15NO4
Molecular Weight285.30 g/mol
Exact Mass285.10
IUPAC Name1-hydroxy-2,3-dimethoxy-10-methylacridin-9-one
SMILESCOc1cc2c(c(O)c1OC)c(=O)c1ccccc1n2C
InChIInChI=1S/C16H15NO4/c1-17-10-7-5-4-6-9(10)14(18)13-11(17)8-12(20-2)16(21-3)15(13)19/h4-8,19H,1-3H3
InChIKeyATBZZQPALSPNMF-UHFFFAOYSA-N
XLogP2.41
TPSA60.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 52.41
H-Bond Donors ≤ 51
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-hydroxy-2,3-dimethoxy-10-methylacridin-9-one?
The IUPAC name of 1-hydroxy-2,3-dimethoxy-10-methylacridin-9-one (CID 5281832) is 1-hydroxy-2,3-dimethoxy-10-methylacridin-9-one.
What is the SMILES notation for 1-hydroxy-2,3-dimethoxy-10-methylacridin-9-one?
The canonical SMILES for 1-hydroxy-2,3-dimethoxy-10-methylacridin-9-one is COc1cc2c(c(O)c1OC)c(=O)c1ccccc1n2C.
What is the InChIKey of 1-hydroxy-2,3-dimethoxy-10-methylacridin-9-one?
The InChIKey is ATBZZQPALSPNMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO4/c1-17-10-7-5-4-6-9(10)14(18)13-11(17)8-12(20-2)16(21-3)15(13)19/h4-8,19H,1-3H3.
What are the key properties of 1-hydroxy-2,3-dimethoxy-10-methylacridin-9-one?
1-hydroxy-2,3-dimethoxy-10-methylacridin-9-one has a molecular weight of 285.30 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-2,3-dimethoxy-10-methylacridin-9-one is sourced from PubChem (CID 5281832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).