2-[2-(4-methoxyphenyl)ethynyl]-10-methylacridin-9-one

C23H17NO2 — CID 24818814

IUPAC2-[2-(4-methoxyphenyl)ethynyl]-10-methylacridin-9-one
SMILESCOc1ccc(C#Cc2ccc3c(c2)c(=O)c2ccccc2n3C)cc1
InChIInChI=1S/C23H17NO2/c1-24-21-6-4-3-5-19(21)23(25)20-15-17(11-14-22(20)24)8-7-16-9-12-18(26-2)13-10-16/h3-6,9-15H,1-2H3
InChIKeyVTAYTSFQJAZFGG-UHFFFAOYSA-N
MW339.39 g/mol
LogP4.10
Rot. Bonds1

About 2-[2-(4-methoxyphenyl)ethynyl]-10-methylacridin-9-one

2-[2-(4-methoxyphenyl)ethynyl]-10-methylacridin-9-one (PubChem CID 24818814) has the molecular formula C23H17NO2 and a molecular weight of 339.39 g/mol. Its IUPAC name is 2-[2-(4-methoxyphenyl)ethynyl]-10-methylacridin-9-one.

Molecular Properties

Compound Name2-[2-(4-methoxyphenyl)ethynyl]-10-methylacridin-9-one
PubChem CID24818814
Molecular FormulaC23H17NO2
Molecular Weight339.39 g/mol
Exact Mass339.13
IUPAC Name2-[2-(4-methoxyphenyl)ethynyl]-10-methylacridin-9-one
SMILESCOc1ccc(C#Cc2ccc3c(c2)c(=O)c2ccccc2n3C)cc1
InChIInChI=1S/C23H17NO2/c1-24-21-6-4-3-5-19(21)23(25)20-15-17(11-14-22(20)24)8-7-16-9-12-18(26-2)13-10-16/h3-6,9-15H,1-2H3
InChIKeyVTAYTSFQJAZFGG-UHFFFAOYSA-N
XLogP4.10
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methoxyphenyl)ethynyl]-10-methylacridin-9-one?
The IUPAC name of 2-[2-(4-methoxyphenyl)ethynyl]-10-methylacridin-9-one (CID 24818814) is 2-[2-(4-methoxyphenyl)ethynyl]-10-methylacridin-9-one.
What is the SMILES notation for 2-[2-(4-methoxyphenyl)ethynyl]-10-methylacridin-9-one?
The canonical SMILES for 2-[2-(4-methoxyphenyl)ethynyl]-10-methylacridin-9-one is COc1ccc(C#Cc2ccc3c(c2)c(=O)c2ccccc2n3C)cc1.
What is the InChIKey of 2-[2-(4-methoxyphenyl)ethynyl]-10-methylacridin-9-one?
The InChIKey is VTAYTSFQJAZFGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17NO2/c1-24-21-6-4-3-5-19(21)23(25)20-15-17(11-14-22(20)24)8-7-16-9-12-18(26-2)13-10-16/h3-6,9-15H,1-2H3.
What are the key properties of 2-[2-(4-methoxyphenyl)ethynyl]-10-methylacridin-9-one?
2-[2-(4-methoxyphenyl)ethynyl]-10-methylacridin-9-one has a molecular weight of 339.39 g/mol, XLogP of 4.10, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methoxyphenyl)ethynyl]-10-methylacridin-9-one is sourced from PubChem (CID 24818814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).