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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Related Compounds

2-phenyl-3-(2,4,6-trifluorophenyl)quinoxaline
CID 71729474
2-[4-(6,7-dimethyl-3-phenylquinoxalin-2-yl)phenyl]-6,7-dimethyl-3-phenylquinoxaline
CID 58299261
2-[3,5-bis(6,7-dimethyl-3-phenylquinoxalin-2-yl)phenyl]-6,7-dimethyl-3-phenylquinoxaline
CID 18504282
6-fluoro-2,3-diphenylquinoxaline
CID 3700648
5-methyl-2,3,8,9-tetraphenylpyrazino[2,3-f]quinoxaline
CID 10006180
1-[3,5-bis[4-(3,5-diphenylphenyl)-2,3,5,6-tetramethylphenyl]phenyl]-4-(3,5-diphenylphenyl)-2,3,5,6-tetramethylbenzene;2-[3,5-bis(4-phenylquinazolin-2-yl)phenyl]-4-phenylquinazoline;2-[3,5-bis[4-(2,4,6-trifluorophenyl)quinazolin-2-yl]phenyl]-4-(2,4,6-trifluorophenyl)quinazoline
CID 162007240
6,7-dimethoxy-2,3-diphenylquinoxaline
CID 1236458
2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)-6,7-dimethyl-3-phenylquinoxaline
CID 132522555
6,7-dimethyl-2-(2-methylpropyl)-3-phenylquinoxaline
CID 141430614
1-(6,7-dimethyl-3-phenylquinoxalin-2-yl)-N,N-dimethylmethanamine
CID 10851136
3,7-bis(4-chlorophenyl)-2,8-diphenylpyrazino[2,3-g]quinoxaline
CID 21026465
6-iodo-2-(4-methylphenyl)-3-phenylquinoxaline
CID 70894334

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).