3-(4-fluorophenyl)-2-phenylimidazo[4,5-b]quinoxaline

C21H13FN4 — CID 921658

IUPAC3-(4-fluorophenyl)-2-phenylimidazo[4,5-b]quinoxaline
SMILESFc1ccc(-n2c(-c3ccccc3)nc3nc4ccccc4nc32)cc1
InChIInChI=1S/C21H13FN4/c22-15-10-12-16(13-11-15)26-20(14-6-2-1-3-7-14)25-19-21(26)24-18-9-5-4-8-17(18)23-19/h1-13H
InChIKeyMXTYYTLZHIQKPB-UHFFFAOYSA-N
MW340.36 g/mol
LogP4.77
Rot. Bonds2

About 3-(4-fluorophenyl)-2-phenylimidazo[4,5-b]quinoxaline

3-(4-fluorophenyl)-2-phenylimidazo[4,5-b]quinoxaline (PubChem CID 921658) has the molecular formula C21H13FN4 and a molecular weight of 340.36 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-2-phenylimidazo[4,5-b]quinoxaline.

Molecular Properties

Compound Name3-(4-fluorophenyl)-2-phenylimidazo[4,5-b]quinoxaline
PubChem CID921658
Molecular FormulaC21H13FN4
Molecular Weight340.36 g/mol
Exact Mass340.11
IUPAC Name3-(4-fluorophenyl)-2-phenylimidazo[4,5-b]quinoxaline
SMILESFc1ccc(-n2c(-c3ccccc3)nc3nc4ccccc4nc32)cc1
InChIInChI=1S/C21H13FN4/c22-15-10-12-16(13-11-15)26-20(14-6-2-1-3-7-14)25-19-21(26)24-18-9-5-4-8-17(18)23-19/h1-13H
InChIKeyMXTYYTLZHIQKPB-UHFFFAOYSA-N
XLogP4.77
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.36
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-fluorophenyl)-2-methylimidazo[4,5-b]quinoxaline
CID 2331215
3-(4-bromo-3-methylphenyl)-2-(4-fluorophenyl)imidazo[4,5-b]quinoxaline
CID 3791638
3-(3-methylphenyl)-2-phenylimidazo[4,5-b]quinoxaline
CID 920331
2-(4-tert-butylphenyl)-3-(4-propan-2-ylphenyl)imidazo[4,5-b]quinoxaline
CID 3714493
N,N-diethyl-4-[2-(4-methoxyphenyl)imidazo[4,5-b]quinoxalin-3-yl]aniline
CID 7459680
1-(4-fluorophenyl)-2-(4-methylphenyl)benzimidazole
CID 95930125
2-(7-fluorodibenzofuran-4-yl)-3-phenylimidazo[4,5-b]quinoxaline
CID 164826444
[4-[5-(5-fluoro-2-pyridinyl)-2-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]methanol
CID 171495415
2-(1,5-diphenylpyrrol-2-yl)-1-(4-fluorophenyl)-5-phenylpyrrole
CID 86230988
1-(4-fluorophenyl)-2-(4-methoxyphenyl)benzimidazole
CID 134816858
3-(4-fluorophenyl)-2-phenylpyrimidin-4-one
CID 13280767
3-(4-ethylphenyl)-2-thiophen-2-ylimidazo[4,5-b]quinoxaline
CID 2015262

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-2-phenylimidazo[4,5-b]quinoxaline?
The IUPAC name of 3-(4-fluorophenyl)-2-phenylimidazo[4,5-b]quinoxaline (CID 921658) is 3-(4-fluorophenyl)-2-phenylimidazo[4,5-b]quinoxaline.
What is the SMILES notation for 3-(4-fluorophenyl)-2-phenylimidazo[4,5-b]quinoxaline?
The canonical SMILES for 3-(4-fluorophenyl)-2-phenylimidazo[4,5-b]quinoxaline is Fc1ccc(-n2c(-c3ccccc3)nc3nc4ccccc4nc32)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-2-phenylimidazo[4,5-b]quinoxaline?
The InChIKey is MXTYYTLZHIQKPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13FN4/c22-15-10-12-16(13-11-15)26-20(14-6-2-1-3-7-14)25-19-21(26)24-18-9-5-4-8-17(18)23-19/h1-13H.
What are the key properties of 3-(4-fluorophenyl)-2-phenylimidazo[4,5-b]quinoxaline?
3-(4-fluorophenyl)-2-phenylimidazo[4,5-b]quinoxaline has a molecular weight of 340.36 g/mol, XLogP of 4.77, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-2-phenylimidazo[4,5-b]quinoxaline is sourced from PubChem (CID 921658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).