3-(4-bromo-3-methylphenyl)-2-(4-fluorophenyl)imidazo[4,5-b]quinoxaline

C22H14BrFN4 — CID 3791638

IUPAC3-(4-bromo-3-methylphenyl)-2-(4-fluorophenyl)imidazo[4,5-b]quinoxaline
SMILESCc1cc(-n2c(-c3ccc(F)cc3)nc3nc4ccccc4nc32)ccc1Br
InChIInChI=1S/C22H14BrFN4/c1-13-12-16(10-11-17(13)23)28-21(14-6-8-15(24)9-7-14)27-20-22(28)26-19-5-3-2-4-18(19)25-20/h2-12H,1H3
InChIKeyVNWRXYUYLIVOGZ-UHFFFAOYSA-N
MW433.28 g/mol
LogP5.85
Rot. Bonds2

About 3-(4-bromo-3-methylphenyl)-2-(4-fluorophenyl)imidazo[4,5-b]quinoxaline

3-(4-bromo-3-methylphenyl)-2-(4-fluorophenyl)imidazo[4,5-b]quinoxaline (PubChem CID 3791638) has the molecular formula C22H14BrFN4 and a molecular weight of 433.28 g/mol. Its IUPAC name is 3-(4-bromo-3-methylphenyl)-2-(4-fluorophenyl)imidazo[4,5-b]quinoxaline.

Molecular Properties

Compound Name3-(4-bromo-3-methylphenyl)-2-(4-fluorophenyl)imidazo[4,5-b]quinoxaline
PubChem CID3791638
Molecular FormulaC22H14BrFN4
Molecular Weight433.28 g/mol
Exact Mass432.04
IUPAC Name3-(4-bromo-3-methylphenyl)-2-(4-fluorophenyl)imidazo[4,5-b]quinoxaline
SMILESCc1cc(-n2c(-c3ccc(F)cc3)nc3nc4ccccc4nc32)ccc1Br
InChIInChI=1S/C22H14BrFN4/c1-13-12-16(10-11-17(13)23)28-21(14-6-8-15(24)9-7-14)27-20-22(28)26-19-5-3-2-4-18(19)25-20/h2-12H,1H3
InChIKeyVNWRXYUYLIVOGZ-UHFFFAOYSA-N
XLogP5.85
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.28
LogP ≤ 55.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-3-methylphenyl)-2-(4-fluorophenyl)imidazo[4,5-b]quinoxaline?
The IUPAC name of 3-(4-bromo-3-methylphenyl)-2-(4-fluorophenyl)imidazo[4,5-b]quinoxaline (CID 3791638) is 3-(4-bromo-3-methylphenyl)-2-(4-fluorophenyl)imidazo[4,5-b]quinoxaline.
What is the SMILES notation for 3-(4-bromo-3-methylphenyl)-2-(4-fluorophenyl)imidazo[4,5-b]quinoxaline?
The canonical SMILES for 3-(4-bromo-3-methylphenyl)-2-(4-fluorophenyl)imidazo[4,5-b]quinoxaline is Cc1cc(-n2c(-c3ccc(F)cc3)nc3nc4ccccc4nc32)ccc1Br.
What is the InChIKey of 3-(4-bromo-3-methylphenyl)-2-(4-fluorophenyl)imidazo[4,5-b]quinoxaline?
The InChIKey is VNWRXYUYLIVOGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14BrFN4/c1-13-12-16(10-11-17(13)23)28-21(14-6-8-15(24)9-7-14)27-20-22(28)26-19-5-3-2-4-18(19)25-20/h2-12H,1H3.
What are the key properties of 3-(4-bromo-3-methylphenyl)-2-(4-fluorophenyl)imidazo[4,5-b]quinoxaline?
3-(4-bromo-3-methylphenyl)-2-(4-fluorophenyl)imidazo[4,5-b]quinoxaline has a molecular weight of 433.28 g/mol, XLogP of 5.85, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-3-methylphenyl)-2-(4-fluorophenyl)imidazo[4,5-b]quinoxaline is sourced from PubChem (CID 3791638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).