2-N,3-N-bis[4-(trifluoromethoxy)phenyl]quinoxaline-2,3-diamine

C22H14F6N4O2 — CID 118656805

IUPAC2-N,3-N-bis[4-(trifluoromethoxy)phenyl]quinoxaline-2,3-diamine
SMILESFC(F)(F)Oc1ccc(Nc2nc3ccccc3nc2Nc2ccc(OC(F)(F)F)cc2)cc1
InChIInChI=1S/C22H14F6N4O2/c23-21(24,25)33-15-9-5-13(6-10-15)29-19-20(32-18-4-2-1-3-17(18)31-19)30-14-7-11-16(12-8-14)34-22(26,27)28/h1-12H,(H,29,31)(H,30,32)
InChIKeyAFSAGKAIGZIUFK-UHFFFAOYSA-N
MW480.37 g/mol
LogP6.91
Rot. Bonds6

About 2-N,3-N-bis[4-(trifluoromethoxy)phenyl]quinoxaline-2,3-diamine

2-N,3-N-bis[4-(trifluoromethoxy)phenyl]quinoxaline-2,3-diamine (PubChem CID 118656805) has the molecular formula C22H14F6N4O2 and a molecular weight of 480.37 g/mol. Its IUPAC name is 2-N,3-N-bis[4-(trifluoromethoxy)phenyl]quinoxaline-2,3-diamine.

Molecular Properties

Compound Name2-N,3-N-bis[4-(trifluoromethoxy)phenyl]quinoxaline-2,3-diamine
PubChem CID118656805
Molecular FormulaC22H14F6N4O2
Molecular Weight480.37 g/mol
Exact Mass480.10
IUPAC Name2-N,3-N-bis[4-(trifluoromethoxy)phenyl]quinoxaline-2,3-diamine
SMILESFC(F)(F)Oc1ccc(Nc2nc3ccccc3nc2Nc2ccc(OC(F)(F)F)cc2)cc1
InChIInChI=1S/C22H14F6N4O2/c23-21(24,25)33-15-9-5-13(6-10-15)29-19-20(32-18-4-2-1-3-17(18)31-19)30-14-7-11-16(12-8-14)34-22(26,27)28/h1-12H,(H,29,31)(H,30,32)
InChIKeyAFSAGKAIGZIUFK-UHFFFAOYSA-N
XLogP6.91
TPSA68.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.37
LogP ≤ 56.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(3,5-dimethyl-1H-pyrazol-1-yl)-N-(4-methoxyphenyl)quinoxalin-2-amine
CID 914394
2-[4-(4-Methoxyphenyl)piperazin-1-yl]quinoxaline
CID 2764806
4-[[3-(4-Hydroxyanilino)-1,4-dihydroquinoxalin-2-yl]imino]cyclohexa-2,5-dien-1-one
CID 794181
N-(4-(N-(3-((4-Methoxyphenyl)amino)quinoxalin-2-yl)sulfamoyl)phenyl)acetamide
CID 1241530
6-methoxy-2-N,3-N-diphenylquinoxaline-2,3-diamine
CID 820005
4-ethoxy-N-[3-(4-methoxyanilino)quinoxalin-2-yl]benzenesulfonamide
CID 1325622
N6-(4-methoxyphenyl)pyrido[3,2-d]pyrimidine-2,4,6-triamine
CID 476032
N-(4-methoxyphenyl)-3-methyl-2-quinoxalinamine
CID 869658
N-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)pyrido[1,2-a]benzimidazol-1-amine
CID 155532567
6-N-[4-(trifluoromethoxy)phenyl]pyrido[3,2-d]pyrimidine-2,4,6-triamine
CID 155534197
N-(4-methoxyphenyl)tetrazolo[1,5-a]quinoxalin-4-amine
CID 1251345
3-(4-fluorophenyl)sulfonyl-N-(4-methoxyphenyl)quinoxalin-2-amine
CID 56670222

Frequently Asked Questions

What is the IUPAC name of 2-N,3-N-bis[4-(trifluoromethoxy)phenyl]quinoxaline-2,3-diamine?
The IUPAC name of 2-N,3-N-bis[4-(trifluoromethoxy)phenyl]quinoxaline-2,3-diamine (CID 118656805) is 2-N,3-N-bis[4-(trifluoromethoxy)phenyl]quinoxaline-2,3-diamine.
What is the SMILES notation for 2-N,3-N-bis[4-(trifluoromethoxy)phenyl]quinoxaline-2,3-diamine?
The canonical SMILES for 2-N,3-N-bis[4-(trifluoromethoxy)phenyl]quinoxaline-2,3-diamine is FC(F)(F)Oc1ccc(Nc2nc3ccccc3nc2Nc2ccc(OC(F)(F)F)cc2)cc1.
What is the InChIKey of 2-N,3-N-bis[4-(trifluoromethoxy)phenyl]quinoxaline-2,3-diamine?
The InChIKey is AFSAGKAIGZIUFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14F6N4O2/c23-21(24,25)33-15-9-5-13(6-10-15)29-19-20(32-18-4-2-1-3-17(18)31-19)30-14-7-11-16(12-8-14)34-22(26,27)28/h1-12H,(H,29,31)(H,30,32).
What are the key properties of 2-N,3-N-bis[4-(trifluoromethoxy)phenyl]quinoxaline-2,3-diamine?
2-N,3-N-bis[4-(trifluoromethoxy)phenyl]quinoxaline-2,3-diamine has a molecular weight of 480.37 g/mol, XLogP of 6.91, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,3-N-bis[4-(trifluoromethoxy)phenyl]quinoxaline-2,3-diamine is sourced from PubChem (CID 118656805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).