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

C16H19NO2 — CID 53362157

IUPAC6-methoxy-2,2-dimethyl-1,3,4,10-tetrahydroacridin-9-one
SMILESCOc1ccc2c(=O)c3c([nH]c2c1)CCC(C)(C)C3
InChIInChI=1S/C16H19NO2/c1-16(2)7-6-13-12(9-16)15(18)11-5-4-10(19-3)8-14(11)17-13/h4-5,8H,6-7,9H2,1-3H3,(H,17,18)
InChIKeyZKNHBFBJEHNMRO-UHFFFAOYSA-N
MW257.33 g/mol
LogP3.05
Rot. Bonds1

About 6-methoxy-2,2-dimethyl-1,3,4,10-tetrahydroacridin-9-one

6-methoxy-2,2-dimethyl-1,3,4,10-tetrahydroacridin-9-one (PubChem CID 53362157) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is 6-methoxy-2,2-dimethyl-1,3,4,10-tetrahydroacridin-9-one.

Molecular Properties

Compound Name6-methoxy-2,2-dimethyl-1,3,4,10-tetrahydroacridin-9-one
PubChem CID53362157
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name6-methoxy-2,2-dimethyl-1,3,4,10-tetrahydroacridin-9-one
SMILESCOc1ccc2c(=O)c3c([nH]c2c1)CCC(C)(C)C3
InChIInChI=1S/C16H19NO2/c1-16(2)7-6-13-12(9-16)15(18)11-5-4-10(19-3)8-14(11)17-13/h4-5,8H,6-7,9H2,1-3H3,(H,17,18)
InChIKeyZKNHBFBJEHNMRO-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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Related Compounds

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2-(4-Methoxyphenyl)-4-quinolinol
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7-Methoxy-2-phenyl-quinolin-4-ol
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CID 56925542
6-butyl-3-iodo-2-methyl-7-(2-phenoxyethoxy)-1H-quinolin-4-one
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CID 86573311
6-butyl-3-ethyl-7-(2-phenoxyethoxy)-1H-quinolin-4-one
CID 140877895
methyl 4-oxo-7-(3-phenylpropoxy)-1H-quinoline-3-carboxylate
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CID 2982754

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2,2-dimethyl-1,3,4,10-tetrahydroacridin-9-one?
The IUPAC name of 6-methoxy-2,2-dimethyl-1,3,4,10-tetrahydroacridin-9-one (CID 53362157) is 6-methoxy-2,2-dimethyl-1,3,4,10-tetrahydroacridin-9-one.
What is the SMILES notation for 6-methoxy-2,2-dimethyl-1,3,4,10-tetrahydroacridin-9-one?
The canonical SMILES for 6-methoxy-2,2-dimethyl-1,3,4,10-tetrahydroacridin-9-one is COc1ccc2c(=O)c3c([nH]c2c1)CCC(C)(C)C3.
What is the InChIKey of 6-methoxy-2,2-dimethyl-1,3,4,10-tetrahydroacridin-9-one?
The InChIKey is ZKNHBFBJEHNMRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c1-16(2)7-6-13-12(9-16)15(18)11-5-4-10(19-3)8-14(11)17-13/h4-5,8H,6-7,9H2,1-3H3,(H,17,18).
What are the key properties of 6-methoxy-2,2-dimethyl-1,3,4,10-tetrahydroacridin-9-one?
6-methoxy-2,2-dimethyl-1,3,4,10-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 6-methoxy-2,2-dimethyl-1,3,4,10-tetrahydroacridin-9-one is sourced from PubChem (CID 53362157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).