7,8-dimethoxy-2H-acridin-9-one

C15H13NO3 — CID 70283584

IUPAC7,8-dimethoxy-2H-acridin-9-one
SMILESCOc1ccc2c(c1OC)C(=O)C1=CCC=CC1=N2
InChIInChI=1S/C15H13NO3/c1-18-12-8-7-11-13(15(12)19-2)14(17)9-5-3-4-6-10(9)16-11/h4-8H,3H2,1-2H3
InChIKeyGCTITHMXVXBFRA-UHFFFAOYSA-N
MW255.27 g/mol
LogP2.86
Rot. Bonds2

About 7,8-dimethoxy-2H-acridin-9-one

7,8-dimethoxy-2H-acridin-9-one (PubChem CID 70283584) has the molecular formula C15H13NO3 and a molecular weight of 255.27 g/mol. Its IUPAC name is 7,8-dimethoxy-2H-acridin-9-one.

Molecular Properties

Compound Name7,8-dimethoxy-2H-acridin-9-one
PubChem CID70283584
Molecular FormulaC15H13NO3
Molecular Weight255.27 g/mol
Exact Mass255.09
IUPAC Name7,8-dimethoxy-2H-acridin-9-one
SMILESCOc1ccc2c(c1OC)C(=O)C1=CCC=CC1=N2
InChIInChI=1S/C15H13NO3/c1-18-12-8-7-11-13(15(12)19-2)14(17)9-5-3-4-6-10(9)16-11/h4-8H,3H2,1-2H3
InChIKeyGCTITHMXVXBFRA-UHFFFAOYSA-N
XLogP2.86
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7,8-dimethoxy-2H-acridin-9-one?
The IUPAC name of 7,8-dimethoxy-2H-acridin-9-one (CID 70283584) is 7,8-dimethoxy-2H-acridin-9-one.
What is the SMILES notation for 7,8-dimethoxy-2H-acridin-9-one?
The canonical SMILES for 7,8-dimethoxy-2H-acridin-9-one is COc1ccc2c(c1OC)C(=O)C1=CCC=CC1=N2.
What is the InChIKey of 7,8-dimethoxy-2H-acridin-9-one?
The InChIKey is GCTITHMXVXBFRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO3/c1-18-12-8-7-11-13(15(12)19-2)14(17)9-5-3-4-6-10(9)16-11/h4-8H,3H2,1-2H3.
What are the key properties of 7,8-dimethoxy-2H-acridin-9-one?
7,8-dimethoxy-2H-acridin-9-one has a molecular weight of 255.27 g/mol, XLogP of 2.86, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dimethoxy-2H-acridin-9-one is sourced from PubChem (CID 70283584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).