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

C16H19NO2 — CID 53362209

IUPAC6-methoxy-3,3-dimethyl-1,2,4,10-tetrahydroacridin-9-one
SMILESCOc1ccc2c(=O)c3c([nH]c2c1)CC(C)(C)CC3
InChIInChI=1S/C16H19NO2/c1-16(2)7-6-12-14(9-16)17-13-8-10(19-3)4-5-11(13)15(12)18/h4-5,8H,6-7,9H2,1-3H3,(H,17,18)
InChIKeyRALALFQLQYUHTR-UHFFFAOYSA-N
MW257.33 g/mol
LogP3.05
Rot. Bonds1

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

6-methoxy-3,3-dimethyl-1,2,4,10-tetrahydroacridin-9-one (PubChem CID 53362209) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is 6-methoxy-3,3-dimethyl-1,2,4,10-tetrahydroacridin-9-one.

Molecular Properties

Compound Name6-methoxy-3,3-dimethyl-1,2,4,10-tetrahydroacridin-9-one
PubChem CID53362209
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name6-methoxy-3,3-dimethyl-1,2,4,10-tetrahydroacridin-9-one
SMILESCOc1ccc2c(=O)c3c([nH]c2c1)CC(C)(C)CC3
InChIInChI=1S/C16H19NO2/c1-16(2)7-6-12-14(9-16)17-13-8-10(19-3)4-5-11(13)15(12)18/h4-5,8H,6-7,9H2,1-3H3,(H,17,18)
InChIKeyRALALFQLQYUHTR-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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CID 253834
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CID 49781247
2-(4-Methoxyphenyl)-4-quinolinol
CID 9547801
4-methoxy-N-(3-methoxyphenyl)benzamide
CID 687087
7-Methoxy-2-phenyl-quinolin-4-ol
CID 289743
2-[[3-(2-Phenylethoxy)phenyl]amino]benzamide
CID 56935695
6-butyl-3-ethyl-2-methyl-7-(2-phenoxyethoxy)-1H-quinolin-4-one
CID 56925542
6-butyl-3-iodo-2-methyl-7-(2-phenoxyethoxy)-1H-quinolin-4-one
CID 56925756
6-fluoro-7-methoxy-2-methyl-3-[4-[4-(trifluoromethoxy)phenoxy]phenyl]-1H-quinolin-4-one
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
CID 140877936
N-(5-methoxy-2-methylphenyl)-2,5-dioxo-1,2,3,4,5,6,7,8-octahydroquinoline-4-carboxamide
CID 2982754

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-3,3-dimethyl-1,2,4,10-tetrahydroacridin-9-one?
The IUPAC name of 6-methoxy-3,3-dimethyl-1,2,4,10-tetrahydroacridin-9-one (CID 53362209) is 6-methoxy-3,3-dimethyl-1,2,4,10-tetrahydroacridin-9-one.
What is the SMILES notation for 6-methoxy-3,3-dimethyl-1,2,4,10-tetrahydroacridin-9-one?
The canonical SMILES for 6-methoxy-3,3-dimethyl-1,2,4,10-tetrahydroacridin-9-one is COc1ccc2c(=O)c3c([nH]c2c1)CC(C)(C)CC3.
What is the InChIKey of 6-methoxy-3,3-dimethyl-1,2,4,10-tetrahydroacridin-9-one?
The InChIKey is RALALFQLQYUHTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c1-16(2)7-6-12-14(9-16)17-13-8-10(19-3)4-5-11(13)15(12)18/h4-5,8H,6-7,9H2,1-3H3,(H,17,18).
What are the key properties of 6-methoxy-3,3-dimethyl-1,2,4,10-tetrahydroacridin-9-one?
6-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 6-methoxy-3,3-dimethyl-1,2,4,10-tetrahydroacridin-9-one is sourced from PubChem (CID 53362209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).