1-hydroxy-2-iodo-3-methoxy-10-methylacridin-9-one

C15H12INO3 — CID 14846764

IUPAC1-hydroxy-2-iodo-3-methoxy-10-methylacridin-9-one
SMILESCOc1cc2c(c(O)c1I)c(=O)c1ccccc1n2C
InChIInChI=1S/C15H12INO3/c1-17-9-6-4-3-5-8(9)14(18)12-10(17)7-11(20-2)13(16)15(12)19/h3-7,19H,1-2H3
InChIKeyUVOREJAANOOJAH-UHFFFAOYSA-N
MW381.17 g/mol
LogP3.01
Rot. Bonds1

About 1-hydroxy-2-iodo-3-methoxy-10-methylacridin-9-one

1-hydroxy-2-iodo-3-methoxy-10-methylacridin-9-one (PubChem CID 14846764) has the molecular formula C15H12INO3 and a molecular weight of 381.17 g/mol. Its IUPAC name is 1-hydroxy-2-iodo-3-methoxy-10-methylacridin-9-one.

Molecular Properties

Compound Name1-hydroxy-2-iodo-3-methoxy-10-methylacridin-9-one
PubChem CID14846764
Molecular FormulaC15H12INO3
Molecular Weight381.17 g/mol
Exact Mass380.99
IUPAC Name1-hydroxy-2-iodo-3-methoxy-10-methylacridin-9-one
SMILESCOc1cc2c(c(O)c1I)c(=O)c1ccccc1n2C
InChIInChI=1S/C15H12INO3/c1-17-9-6-4-3-5-8(9)14(18)12-10(17)7-11(20-2)13(16)15(12)19/h3-7,19H,1-2H3
InChIKeyUVOREJAANOOJAH-UHFFFAOYSA-N
XLogP3.01
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.17
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 1-hydroxy-2-iodo-3-methoxy-10-methylacridin-9-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-2-iodo-3-methoxy-10-methylacridin-9-one?
The IUPAC name of 1-hydroxy-2-iodo-3-methoxy-10-methylacridin-9-one (CID 14846764) is 1-hydroxy-2-iodo-3-methoxy-10-methylacridin-9-one.
What is the SMILES notation for 1-hydroxy-2-iodo-3-methoxy-10-methylacridin-9-one?
The canonical SMILES for 1-hydroxy-2-iodo-3-methoxy-10-methylacridin-9-one is COc1cc2c(c(O)c1I)c(=O)c1ccccc1n2C.
What is the InChIKey of 1-hydroxy-2-iodo-3-methoxy-10-methylacridin-9-one?
The InChIKey is UVOREJAANOOJAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12INO3/c1-17-9-6-4-3-5-8(9)14(18)12-10(17)7-11(20-2)13(16)15(12)19/h3-7,19H,1-2H3.
What are the key properties of 1-hydroxy-2-iodo-3-methoxy-10-methylacridin-9-one?
1-hydroxy-2-iodo-3-methoxy-10-methylacridin-9-one has a molecular weight of 381.17 g/mol, XLogP of 3.01, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-2-iodo-3-methoxy-10-methylacridin-9-one is sourced from PubChem (CID 14846764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).