6,7-dimethoxy-4-quinoxalin-6-yl-1H-benzo[f][2]benzofuran-3-one

C22H16N2O4 — CID 165394167

IUPAC6,7-dimethoxy-4-quinoxalin-6-yl-1H-benzo[f][2]benzofuran-3-one
SMILESCOc1cc2cc3c(c(-c4ccc5nccnc5c4)c2cc1OC)C(=O)OC3
InChIInChI=1S/C22H16N2O4/c1-26-18-9-13-7-14-11-28-22(25)21(14)20(15(13)10-19(18)27-2)12-3-4-16-17(8-12)24-6-5-23-16/h3-10H,11H2,1-2H3
InChIKeyLJPNNWNYCYJZOI-UHFFFAOYSA-N
MW372.38 g/mol
LogP4.14
Rot. Bonds3

About 6,7-dimethoxy-4-quinoxalin-6-yl-1H-benzo[f][2]benzofuran-3-one

6,7-dimethoxy-4-quinoxalin-6-yl-1H-benzo[f][2]benzofuran-3-one (PubChem CID 165394167) has the molecular formula C22H16N2O4 and a molecular weight of 372.38 g/mol. Its IUPAC name is 6,7-dimethoxy-4-quinoxalin-6-yl-1H-benzo[f][2]benzofuran-3-one.

Molecular Properties

Compound Name6,7-dimethoxy-4-quinoxalin-6-yl-1H-benzo[f][2]benzofuran-3-one
PubChem CID165394167
Molecular FormulaC22H16N2O4
Molecular Weight372.38 g/mol
Exact Mass372.11
IUPAC Name6,7-dimethoxy-4-quinoxalin-6-yl-1H-benzo[f][2]benzofuran-3-one
SMILESCOc1cc2cc3c(c(-c4ccc5nccnc5c4)c2cc1OC)C(=O)OC3
InChIInChI=1S/C22H16N2O4/c1-26-18-9-13-7-14-11-28-22(25)21(14)20(15(13)10-19(18)27-2)12-3-4-16-17(8-12)24-6-5-23-16/h3-10H,11H2,1-2H3
InChIKeyLJPNNWNYCYJZOI-UHFFFAOYSA-N
XLogP4.14
TPSA70.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.38
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6,7-dimethoxy-4-quinoxalin-6-yl-1H-benzo[f][2]benzofuran-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-4-quinoxalin-6-yl-1H-benzo[f][2]benzofuran-3-one?
The IUPAC name of 6,7-dimethoxy-4-quinoxalin-6-yl-1H-benzo[f][2]benzofuran-3-one (CID 165394167) is 6,7-dimethoxy-4-quinoxalin-6-yl-1H-benzo[f][2]benzofuran-3-one.
What is the SMILES notation for 6,7-dimethoxy-4-quinoxalin-6-yl-1H-benzo[f][2]benzofuran-3-one?
The canonical SMILES for 6,7-dimethoxy-4-quinoxalin-6-yl-1H-benzo[f][2]benzofuran-3-one is COc1cc2cc3c(c(-c4ccc5nccnc5c4)c2cc1OC)C(=O)OC3.
What is the InChIKey of 6,7-dimethoxy-4-quinoxalin-6-yl-1H-benzo[f][2]benzofuran-3-one?
The InChIKey is LJPNNWNYCYJZOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N2O4/c1-26-18-9-13-7-14-11-28-22(25)21(14)20(15(13)10-19(18)27-2)12-3-4-16-17(8-12)24-6-5-23-16/h3-10H,11H2,1-2H3.
What are the key properties of 6,7-dimethoxy-4-quinoxalin-6-yl-1H-benzo[f][2]benzofuran-3-one?
6,7-dimethoxy-4-quinoxalin-6-yl-1H-benzo[f][2]benzofuran-3-one has a molecular weight of 372.38 g/mol, XLogP of 4.14, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-4-quinoxalin-6-yl-1H-benzo[f][2]benzofuran-3-one is sourced from PubChem (CID 165394167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).