6-ethoxy-8-fluoro-3,4-dimethyl-1-(2-methylphenyl)imidazo[1,5-a]quinoxaline

C21H20FN3O — CID 42630438

IUPAC6-ethoxy-8-fluoro-3,4-dimethyl-1-(2-methylphenyl)imidazo[1,5-a]quinoxaline
SMILESCCOc1cc(F)cc2c1nc(C)c1c(C)nc(-c3ccccc3C)n12
InChIInChI=1S/C21H20FN3O/c1-5-26-18-11-15(22)10-17-19(18)23-13(3)20-14(4)24-21(25(17)20)16-9-7-6-8-12(16)2/h6-11H,5H2,1-4H3
InChIKeySQZHNYUQGYHEOQ-UHFFFAOYSA-N
MW349.41 g/mol
LogP5.01
Rot. Bonds3

About 6-ethoxy-8-fluoro-3,4-dimethyl-1-(2-methylphenyl)imidazo[1,5-a]quinoxaline

6-ethoxy-8-fluoro-3,4-dimethyl-1-(2-methylphenyl)imidazo[1,5-a]quinoxaline (PubChem CID 42630438) has the molecular formula C21H20FN3O and a molecular weight of 349.41 g/mol. Its IUPAC name is 6-ethoxy-8-fluoro-3,4-dimethyl-1-(2-methylphenyl)imidazo[1,5-a]quinoxaline.

Molecular Properties

Compound Name6-ethoxy-8-fluoro-3,4-dimethyl-1-(2-methylphenyl)imidazo[1,5-a]quinoxaline
PubChem CID42630438
Molecular FormulaC21H20FN3O
Molecular Weight349.41 g/mol
Exact Mass349.16
IUPAC Name6-ethoxy-8-fluoro-3,4-dimethyl-1-(2-methylphenyl)imidazo[1,5-a]quinoxaline
SMILESCCOc1cc(F)cc2c1nc(C)c1c(C)nc(-c3ccccc3C)n12
InChIInChI=1S/C21H20FN3O/c1-5-26-18-11-15(22)10-17-19(18)23-13(3)20-14(4)24-21(25(17)20)16-9-7-6-8-12(16)2/h6-11H,5H2,1-4H3
InChIKeySQZHNYUQGYHEOQ-UHFFFAOYSA-N
XLogP5.01
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.41
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-ethoxy-8-fluoro-3,4-dimethyl-1-(2-methylphenyl)imidazo[1,5-a]quinoxaline 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-ethoxy-8-fluoro-3,4-dimethyl-1-(2-methylphenyl)imidazo[1,5-a]quinoxaline?
The IUPAC name of 6-ethoxy-8-fluoro-3,4-dimethyl-1-(2-methylphenyl)imidazo[1,5-a]quinoxaline (CID 42630438) is 6-ethoxy-8-fluoro-3,4-dimethyl-1-(2-methylphenyl)imidazo[1,5-a]quinoxaline.
What is the SMILES notation for 6-ethoxy-8-fluoro-3,4-dimethyl-1-(2-methylphenyl)imidazo[1,5-a]quinoxaline?
The canonical SMILES for 6-ethoxy-8-fluoro-3,4-dimethyl-1-(2-methylphenyl)imidazo[1,5-a]quinoxaline is CCOc1cc(F)cc2c1nc(C)c1c(C)nc(-c3ccccc3C)n12.
What is the InChIKey of 6-ethoxy-8-fluoro-3,4-dimethyl-1-(2-methylphenyl)imidazo[1,5-a]quinoxaline?
The InChIKey is SQZHNYUQGYHEOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O/c1-5-26-18-11-15(22)10-17-19(18)23-13(3)20-14(4)24-21(25(17)20)16-9-7-6-8-12(16)2/h6-11H,5H2,1-4H3.
What are the key properties of 6-ethoxy-8-fluoro-3,4-dimethyl-1-(2-methylphenyl)imidazo[1,5-a]quinoxaline?
6-ethoxy-8-fluoro-3,4-dimethyl-1-(2-methylphenyl)imidazo[1,5-a]quinoxaline has a molecular weight of 349.41 g/mol, XLogP of 5.01, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-8-fluoro-3,4-dimethyl-1-(2-methylphenyl)imidazo[1,5-a]quinoxaline is sourced from PubChem (CID 42630438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).