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

C20H16F3N3O — CID 42630440

IUPAC6-(difluoromethoxy)-8-fluoro-3,4-dimethyl-1-(2-methylphenyl)imidazo[1,5-a]quinoxaline
SMILESCc1ccccc1-c1nc(C)c2c(C)nc3c(OC(F)F)cc(F)cc3n12
InChIInChI=1S/C20H16F3N3O/c1-10-6-4-5-7-14(10)19-25-12(3)18-11(2)24-17-15(26(18)19)8-13(21)9-16(17)27-20(22)23/h4-9,20H,1-3H3
InChIKeyOJPMZYKWMBETBC-UHFFFAOYSA-N
MW371.36 g/mol
LogP5.22
Rot. Bonds3

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

6-(difluoromethoxy)-8-fluoro-3,4-dimethyl-1-(2-methylphenyl)imidazo[1,5-a]quinoxaline (PubChem CID 42630440) has the molecular formula C20H16F3N3O and a molecular weight of 371.36 g/mol. Its IUPAC name is 6-(difluoromethoxy)-8-fluoro-3,4-dimethyl-1-(2-methylphenyl)imidazo[1,5-a]quinoxaline.

Molecular Properties

Compound Name6-(difluoromethoxy)-8-fluoro-3,4-dimethyl-1-(2-methylphenyl)imidazo[1,5-a]quinoxaline
PubChem CID42630440
Molecular FormulaC20H16F3N3O
Molecular Weight371.36 g/mol
Exact Mass371.12
IUPAC Name6-(difluoromethoxy)-8-fluoro-3,4-dimethyl-1-(2-methylphenyl)imidazo[1,5-a]quinoxaline
SMILESCc1ccccc1-c1nc(C)c2c(C)nc3c(OC(F)F)cc(F)cc3n12
InChIInChI=1S/C20H16F3N3O/c1-10-6-4-5-7-14(10)19-25-12(3)18-11(2)24-17-15(26(18)19)8-13(21)9-16(17)27-20(22)23/h4-9,20H,1-3H3
InChIKeyOJPMZYKWMBETBC-UHFFFAOYSA-N
XLogP5.22
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.36
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethoxy)-8-fluoro-3,4-dimethyl-1-(2-methylphenyl)imidazo[1,5-a]quinoxaline?
The IUPAC name of 6-(difluoromethoxy)-8-fluoro-3,4-dimethyl-1-(2-methylphenyl)imidazo[1,5-a]quinoxaline (CID 42630440) is 6-(difluoromethoxy)-8-fluoro-3,4-dimethyl-1-(2-methylphenyl)imidazo[1,5-a]quinoxaline.
What is the SMILES notation for 6-(difluoromethoxy)-8-fluoro-3,4-dimethyl-1-(2-methylphenyl)imidazo[1,5-a]quinoxaline?
The canonical SMILES for 6-(difluoromethoxy)-8-fluoro-3,4-dimethyl-1-(2-methylphenyl)imidazo[1,5-a]quinoxaline is Cc1ccccc1-c1nc(C)c2c(C)nc3c(OC(F)F)cc(F)cc3n12.
What is the InChIKey of 6-(difluoromethoxy)-8-fluoro-3,4-dimethyl-1-(2-methylphenyl)imidazo[1,5-a]quinoxaline?
The InChIKey is OJPMZYKWMBETBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N3O/c1-10-6-4-5-7-14(10)19-25-12(3)18-11(2)24-17-15(26(18)19)8-13(21)9-16(17)27-20(22)23/h4-9,20H,1-3H3.
What are the key properties of 6-(difluoromethoxy)-8-fluoro-3,4-dimethyl-1-(2-methylphenyl)imidazo[1,5-a]quinoxaline?
6-(difluoromethoxy)-8-fluoro-3,4-dimethyl-1-(2-methylphenyl)imidazo[1,5-a]quinoxaline has a molecular weight of 371.36 g/mol, XLogP of 5.22, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethoxy)-8-fluoro-3,4-dimethyl-1-(2-methylphenyl)imidazo[1,5-a]quinoxaline is sourced from PubChem (CID 42630440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).