5-methoxy-3,3-dimethyl-1,2,4,10-tetrahydroacridin-9-one

C16H19NO2 — CID 53362208

IUPAC5-methoxy-3,3-dimethyl-1,2,4,10-tetrahydroacridin-9-one
SMILESCOc1cccc2c(=O)c3c([nH]c12)CC(C)(C)CC3
InChIInChI=1S/C16H19NO2/c1-16(2)8-7-10-12(9-16)17-14-11(15(10)18)5-4-6-13(14)19-3/h4-6H,7-9H2,1-3H3,(H,17,18)
InChIKeyWEHRGUKJXKNAIY-UHFFFAOYSA-N
MW257.33 g/mol
LogP3.05
Rot. Bonds1

About 5-methoxy-3,3-dimethyl-1,2,4,10-tetrahydroacridin-9-one

5-methoxy-3,3-dimethyl-1,2,4,10-tetrahydroacridin-9-one (PubChem CID 53362208) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is 5-methoxy-3,3-dimethyl-1,2,4,10-tetrahydroacridin-9-one.

Molecular Properties

Compound Name5-methoxy-3,3-dimethyl-1,2,4,10-tetrahydroacridin-9-one
PubChem CID53362208
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name5-methoxy-3,3-dimethyl-1,2,4,10-tetrahydroacridin-9-one
SMILESCOc1cccc2c(=O)c3c([nH]c12)CC(C)(C)CC3
InChIInChI=1S/C16H19NO2/c1-16(2)8-7-10-12(9-16)17-14-11(15(10)18)5-4-6-13(14)19-3/h4-6H,7-9H2,1-3H3,(H,17,18)
InChIKeyWEHRGUKJXKNAIY-UHFFFAOYSA-N
XLogP3.05
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-3,3-dimethyl-1,2,4,10-tetrahydroacridin-9-one?
The IUPAC name of 5-methoxy-3,3-dimethyl-1,2,4,10-tetrahydroacridin-9-one (CID 53362208) is 5-methoxy-3,3-dimethyl-1,2,4,10-tetrahydroacridin-9-one.
What is the SMILES notation for 5-methoxy-3,3-dimethyl-1,2,4,10-tetrahydroacridin-9-one?
The canonical SMILES for 5-methoxy-3,3-dimethyl-1,2,4,10-tetrahydroacridin-9-one is COc1cccc2c(=O)c3c([nH]c12)CC(C)(C)CC3.
What is the InChIKey of 5-methoxy-3,3-dimethyl-1,2,4,10-tetrahydroacridin-9-one?
The InChIKey is WEHRGUKJXKNAIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c1-16(2)8-7-10-12(9-16)17-14-11(15(10)18)5-4-6-13(14)19-3/h4-6H,7-9H2,1-3H3,(H,17,18).
What are the key properties of 5-methoxy-3,3-dimethyl-1,2,4,10-tetrahydroacridin-9-one?
5-methoxy-3,3-dimethyl-1,2,4,10-tetrahydroacridin-9-one has a molecular weight of 257.33 g/mol, XLogP of 3.05, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-3,3-dimethyl-1,2,4,10-tetrahydroacridin-9-one is sourced from PubChem (CID 53362208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).