10-methyl-3-(2-pyridin-2-ylethynyl)acridin-9-one

C21H14N2O — CID 24792649

IUPAC10-methyl-3-(2-pyridin-2-ylethynyl)acridin-9-one
SMILESCn1c2ccccc2c(=O)c2ccc(C#Cc3ccccn3)cc21
InChIInChI=1S/C21H14N2O/c1-23-19-8-3-2-7-17(19)21(24)18-12-10-15(14-20(18)23)9-11-16-6-4-5-13-22-16/h2-8,10,12-14H,1H3
InChIKeyMRTMIRAOGXBYNB-UHFFFAOYSA-N
MW310.36 g/mol
LogP3.49
Rot. Bonds

About 10-methyl-3-(2-pyridin-2-ylethynyl)acridin-9-one

10-methyl-3-(2-pyridin-2-ylethynyl)acridin-9-one (PubChem CID 24792649) has the molecular formula C21H14N2O and a molecular weight of 310.36 g/mol. Its IUPAC name is 10-methyl-3-(2-pyridin-2-ylethynyl)acridin-9-one.

Molecular Properties

Compound Name10-methyl-3-(2-pyridin-2-ylethynyl)acridin-9-one
PubChem CID24792649
Molecular FormulaC21H14N2O
Molecular Weight310.36 g/mol
Exact Mass310.11
IUPAC Name10-methyl-3-(2-pyridin-2-ylethynyl)acridin-9-one
SMILESCn1c2ccccc2c(=O)c2ccc(C#Cc3ccccn3)cc21
InChIInChI=1S/C21H14N2O/c1-23-19-8-3-2-7-17(19)21(24)18-12-10-15(14-20(18)23)9-11-16-6-4-5-13-22-16/h2-8,10,12-14H,1H3
InChIKeyMRTMIRAOGXBYNB-UHFFFAOYSA-N
XLogP3.49
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 53.49
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 10-methyl-3-(2-pyridin-2-ylethynyl)acridin-9-one?
The IUPAC name of 10-methyl-3-(2-pyridin-2-ylethynyl)acridin-9-one (CID 24792649) is 10-methyl-3-(2-pyridin-2-ylethynyl)acridin-9-one.
What is the SMILES notation for 10-methyl-3-(2-pyridin-2-ylethynyl)acridin-9-one?
The canonical SMILES for 10-methyl-3-(2-pyridin-2-ylethynyl)acridin-9-one is Cn1c2ccccc2c(=O)c2ccc(C#Cc3ccccn3)cc21.
What is the InChIKey of 10-methyl-3-(2-pyridin-2-ylethynyl)acridin-9-one?
The InChIKey is MRTMIRAOGXBYNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14N2O/c1-23-19-8-3-2-7-17(19)21(24)18-12-10-15(14-20(18)23)9-11-16-6-4-5-13-22-16/h2-8,10,12-14H,1H3.
What are the key properties of 10-methyl-3-(2-pyridin-2-ylethynyl)acridin-9-one?
10-methyl-3-(2-pyridin-2-ylethynyl)acridin-9-one has a molecular weight of 310.36 g/mol, XLogP of 3.49, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methyl-3-(2-pyridin-2-ylethynyl)acridin-9-one is sourced from PubChem (CID 24792649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).