4,5-dimethoxy-10H-acridin-9-one

C15H13NO3 — CID 3568605

IUPAC4,5-dimethoxy-10H-acridin-9-one
SMILESCOc1cccc2c(=O)c3cccc(OC)c3[nH]c12
InChIInChI=1S/C15H13NO3/c1-18-11-7-3-5-9-13(11)16-14-10(15(9)17)6-4-8-12(14)19-2/h3-8H,1-2H3,(H,16,17)
InChIKeyQNEPMYKKHVVCPT-UHFFFAOYSA-N
MW255.27 g/mol
LogP2.70
Rot. Bonds2

About 4,5-dimethoxy-10H-acridin-9-one

4,5-dimethoxy-10H-acridin-9-one (PubChem CID 3568605) has the molecular formula C15H13NO3 and a molecular weight of 255.27 g/mol. Its IUPAC name is 4,5-dimethoxy-10H-acridin-9-one.

Molecular Properties

Compound Name4,5-dimethoxy-10H-acridin-9-one
PubChem CID3568605
Molecular FormulaC15H13NO3
Molecular Weight255.27 g/mol
Exact Mass255.09
IUPAC Name4,5-dimethoxy-10H-acridin-9-one
SMILESCOc1cccc2c(=O)c3cccc(OC)c3[nH]c12
InChIInChI=1S/C15H13NO3/c1-18-11-7-3-5-9-13(11)16-14-10(15(9)17)6-4-8-12(14)19-2/h3-8H,1-2H3,(H,16,17)
InChIKeyQNEPMYKKHVVCPT-UHFFFAOYSA-N
XLogP2.70
TPSA51.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 4,5-dimethoxy-10H-acridin-9-one?
The IUPAC name of 4,5-dimethoxy-10H-acridin-9-one (CID 3568605) is 4,5-dimethoxy-10H-acridin-9-one.
What is the SMILES notation for 4,5-dimethoxy-10H-acridin-9-one?
The canonical SMILES for 4,5-dimethoxy-10H-acridin-9-one is COc1cccc2c(=O)c3cccc(OC)c3[nH]c12.
What is the InChIKey of 4,5-dimethoxy-10H-acridin-9-one?
The InChIKey is QNEPMYKKHVVCPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO3/c1-18-11-7-3-5-9-13(11)16-14-10(15(9)17)6-4-8-12(14)19-2/h3-8H,1-2H3,(H,16,17).
What are the key properties of 4,5-dimethoxy-10H-acridin-9-one?
4,5-dimethoxy-10H-acridin-9-one has a molecular weight of 255.27 g/mol, XLogP of 2.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethoxy-10H-acridin-9-one is sourced from PubChem (CID 3568605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).