7,8-dimethylindeno[1,2-b]quinoxalin-11-one

C17H12N2O — CID 705473

IUPAC7,8-dimethylindeno[1,2-b]quinoxalin-11-one
SMILESCc1cc2nc3c(nc2cc1C)-c1ccccc1C3=O
InChIInChI=1S/C17H12N2O/c1-9-7-13-14(8-10(9)2)19-16-15(18-13)11-5-3-4-6-12(11)17(16)20/h3-8H,1-2H3
InChIKeyNJWXWXXEFOAELR-UHFFFAOYSA-N
MW260.30 g/mol
LogP3.46
Rot. Bonds

About 7,8-dimethylindeno[1,2-b]quinoxalin-11-one

7,8-dimethylindeno[1,2-b]quinoxalin-11-one (PubChem CID 705473) has the molecular formula C17H12N2O and a molecular weight of 260.30 g/mol. Its IUPAC name is 7,8-dimethylindeno[1,2-b]quinoxalin-11-one.

Molecular Properties

Compound Name7,8-dimethylindeno[1,2-b]quinoxalin-11-one
PubChem CID705473
Molecular FormulaC17H12N2O
Molecular Weight260.30 g/mol
Exact Mass260.09
IUPAC Name7,8-dimethylindeno[1,2-b]quinoxalin-11-one
SMILESCc1cc2nc3c(nc2cc1C)-c1ccccc1C3=O
InChIInChI=1S/C17H12N2O/c1-9-7-13-14(8-10(9)2)19-16-15(18-13)11-5-3-4-6-12(11)17(16)20/h3-8H,1-2H3
InChIKeyNJWXWXXEFOAELR-UHFFFAOYSA-N
XLogP3.46
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7,8-dimethylindeno[1,2-b]quinoxalin-11-one?
The IUPAC name of 7,8-dimethylindeno[1,2-b]quinoxalin-11-one (CID 705473) is 7,8-dimethylindeno[1,2-b]quinoxalin-11-one.
What is the SMILES notation for 7,8-dimethylindeno[1,2-b]quinoxalin-11-one?
The canonical SMILES for 7,8-dimethylindeno[1,2-b]quinoxalin-11-one is Cc1cc2nc3c(nc2cc1C)-c1ccccc1C3=O.
What is the InChIKey of 7,8-dimethylindeno[1,2-b]quinoxalin-11-one?
The InChIKey is NJWXWXXEFOAELR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2O/c1-9-7-13-14(8-10(9)2)19-16-15(18-13)11-5-3-4-6-12(11)17(16)20/h3-8H,1-2H3.
What are the key properties of 7,8-dimethylindeno[1,2-b]quinoxalin-11-one?
7,8-dimethylindeno[1,2-b]quinoxalin-11-one has a molecular weight of 260.30 g/mol, XLogP of 3.46, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dimethylindeno[1,2-b]quinoxalin-11-one is sourced from PubChem (CID 705473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).