6,7-dimethyl-2-phenyl-3-(2,4,6-trifluorophenyl)quinoxaline

C22H15F3N2 — CID 71729476

IUPAC6,7-dimethyl-2-phenyl-3-(2,4,6-trifluorophenyl)quinoxaline
SMILESCc1cc2nc(-c3ccccc3)c(-c3c(F)cc(F)cc3F)nc2cc1C
InChIInChI=1S/C22H15F3N2/c1-12-8-18-19(9-13(12)2)27-22(20-16(24)10-15(23)11-17(20)25)21(26-18)14-6-4-3-5-7-14/h3-11H,1-2H3
InChIKeyITRDVUOGKJZMFC-UHFFFAOYSA-N
MW364.37 g/mol
LogP6.00
Rot. Bonds2

About 6,7-dimethyl-2-phenyl-3-(2,4,6-trifluorophenyl)quinoxaline

6,7-dimethyl-2-phenyl-3-(2,4,6-trifluorophenyl)quinoxaline (PubChem CID 71729476) has the molecular formula C22H15F3N2 and a molecular weight of 364.37 g/mol. Its IUPAC name is 6,7-dimethyl-2-phenyl-3-(2,4,6-trifluorophenyl)quinoxaline.

Molecular Properties

Compound Name6,7-dimethyl-2-phenyl-3-(2,4,6-trifluorophenyl)quinoxaline
PubChem CID71729476
Molecular FormulaC22H15F3N2
Molecular Weight364.37 g/mol
Exact Mass364.12
IUPAC Name6,7-dimethyl-2-phenyl-3-(2,4,6-trifluorophenyl)quinoxaline
SMILESCc1cc2nc(-c3ccccc3)c(-c3c(F)cc(F)cc3F)nc2cc1C
InChIInChI=1S/C22H15F3N2/c1-12-8-18-19(9-13(12)2)27-22(20-16(24)10-15(23)11-17(20)25)21(26-18)14-6-4-3-5-7-14/h3-11H,1-2H3
InChIKeyITRDVUOGKJZMFC-UHFFFAOYSA-N
XLogP6.00
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.37
LogP ≤ 56.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethyl-2-phenyl-3-(2,4,6-trifluorophenyl)quinoxaline?
The IUPAC name of 6,7-dimethyl-2-phenyl-3-(2,4,6-trifluorophenyl)quinoxaline (CID 71729476) is 6,7-dimethyl-2-phenyl-3-(2,4,6-trifluorophenyl)quinoxaline.
What is the SMILES notation for 6,7-dimethyl-2-phenyl-3-(2,4,6-trifluorophenyl)quinoxaline?
The canonical SMILES for 6,7-dimethyl-2-phenyl-3-(2,4,6-trifluorophenyl)quinoxaline is Cc1cc2nc(-c3ccccc3)c(-c3c(F)cc(F)cc3F)nc2cc1C.
What is the InChIKey of 6,7-dimethyl-2-phenyl-3-(2,4,6-trifluorophenyl)quinoxaline?
The InChIKey is ITRDVUOGKJZMFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F3N2/c1-12-8-18-19(9-13(12)2)27-22(20-16(24)10-15(23)11-17(20)25)21(26-18)14-6-4-3-5-7-14/h3-11H,1-2H3.
What are the key properties of 6,7-dimethyl-2-phenyl-3-(2,4,6-trifluorophenyl)quinoxaline?
6,7-dimethyl-2-phenyl-3-(2,4,6-trifluorophenyl)quinoxaline has a molecular weight of 364.37 g/mol, XLogP of 6.00, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethyl-2-phenyl-3-(2,4,6-trifluorophenyl)quinoxaline is sourced from PubChem (CID 71729476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).