5,6-dimethoxy-2,3,4,10-tetrahydro-1H-acridin-9-one

C15H17NO3 — CID 53362374

IUPAC5,6-dimethoxy-2,3,4,10-tetrahydro-1H-acridin-9-one
SMILESCOc1ccc2c(=O)c3c([nH]c2c1OC)CCCC3
InChIInChI=1S/C15H17NO3/c1-18-12-8-7-10-13(15(12)19-2)16-11-6-4-3-5-9(11)14(10)17/h7-8H,3-6H2,1-2H3,(H,16,17)
InChIKeyCOYDOXYQSDVBGE-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.42
Rot. Bonds2

About 5,6-dimethoxy-2,3,4,10-tetrahydro-1H-acridin-9-one

5,6-dimethoxy-2,3,4,10-tetrahydro-1H-acridin-9-one (PubChem CID 53362374) has the molecular formula C15H17NO3 and a molecular weight of 259.31 g/mol. Its IUPAC name is 5,6-dimethoxy-2,3,4,10-tetrahydro-1H-acridin-9-one.

Molecular Properties

Compound Name5,6-dimethoxy-2,3,4,10-tetrahydro-1H-acridin-9-one
PubChem CID53362374
Molecular FormulaC15H17NO3
Molecular Weight259.31 g/mol
Exact Mass259.12
IUPAC Name5,6-dimethoxy-2,3,4,10-tetrahydro-1H-acridin-9-one
SMILESCOc1ccc2c(=O)c3c([nH]c2c1OC)CCCC3
InChIInChI=1S/C15H17NO3/c1-18-12-8-7-10-13(15(12)19-2)16-11-6-4-3-5-9(11)14(10)17/h7-8H,3-6H2,1-2H3,(H,16,17)
InChIKeyCOYDOXYQSDVBGE-UHFFFAOYSA-N
XLogP2.42
TPSA51.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethoxy-2,3,4,10-tetrahydro-1H-acridin-9-one?
The IUPAC name of 5,6-dimethoxy-2,3,4,10-tetrahydro-1H-acridin-9-one (CID 53362374) is 5,6-dimethoxy-2,3,4,10-tetrahydro-1H-acridin-9-one.
What is the SMILES notation for 5,6-dimethoxy-2,3,4,10-tetrahydro-1H-acridin-9-one?
The canonical SMILES for 5,6-dimethoxy-2,3,4,10-tetrahydro-1H-acridin-9-one is COc1ccc2c(=O)c3c([nH]c2c1OC)CCCC3.
What is the InChIKey of 5,6-dimethoxy-2,3,4,10-tetrahydro-1H-acridin-9-one?
The InChIKey is COYDOXYQSDVBGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3/c1-18-12-8-7-10-13(15(12)19-2)16-11-6-4-3-5-9(11)14(10)17/h7-8H,3-6H2,1-2H3,(H,16,17).
What are the key properties of 5,6-dimethoxy-2,3,4,10-tetrahydro-1H-acridin-9-one?
5,6-dimethoxy-2,3,4,10-tetrahydro-1H-acridin-9-one has a molecular weight of 259.31 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethoxy-2,3,4,10-tetrahydro-1H-acridin-9-one is sourced from PubChem (CID 53362374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).