5-chloro-3-(2-chloro-5-fluorophenyl)-2,6-dimethylquinoxaline

C16H11Cl2FN2 — CID 163871354

IUPAC5-chloro-3-(2-chloro-5-fluorophenyl)-2,6-dimethylquinoxaline
SMILESCc1ccc2nc(C)c(-c3cc(F)ccc3Cl)nc2c1Cl
InChIInChI=1S/C16H11Cl2FN2/c1-8-3-6-13-16(14(8)18)21-15(9(2)20-13)11-7-10(19)4-5-12(11)17/h3-7H,1-2H3
InChIKeyPLBWIJRHUJZYRH-UHFFFAOYSA-N
MW321.18 g/mol
LogP5.36
Rot. Bonds1

About 5-chloro-3-(2-chloro-5-fluorophenyl)-2,6-dimethylquinoxaline

5-chloro-3-(2-chloro-5-fluorophenyl)-2,6-dimethylquinoxaline (PubChem CID 163871354) has the molecular formula C16H11Cl2FN2 and a molecular weight of 321.18 g/mol. Its IUPAC name is 5-chloro-3-(2-chloro-5-fluorophenyl)-2,6-dimethylquinoxaline.

Molecular Properties

Compound Name5-chloro-3-(2-chloro-5-fluorophenyl)-2,6-dimethylquinoxaline
PubChem CID163871354
Molecular FormulaC16H11Cl2FN2
Molecular Weight321.18 g/mol
Exact Mass320.03
IUPAC Name5-chloro-3-(2-chloro-5-fluorophenyl)-2,6-dimethylquinoxaline
SMILESCc1ccc2nc(C)c(-c3cc(F)ccc3Cl)nc2c1Cl
InChIInChI=1S/C16H11Cl2FN2/c1-8-3-6-13-16(14(8)18)21-15(9(2)20-13)11-7-10(19)4-5-12(11)17/h3-7H,1-2H3
InChIKeyPLBWIJRHUJZYRH-UHFFFAOYSA-N
XLogP5.36
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.18
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,4-dichloro-2-(5-fluoro-2-methylphenyl)benzene
CID 118990356
1-chloro-2-(3-ethenyl-4-methylphenyl)-4-fluorobenzene
CID 172654203
4-(2-chloro-5-fluorophenyl)-5-methyl-N-propylpyrimidin-2-amine
CID 105396175
4-chloro-6-(2-chloro-5-fluorophenyl)-5-methyl-2-propan-2-ylpyrimidine
CID 105396018
6-chloro-5-fluoro-2,3-dimethylquinoline;ethane
CID 177017016
3,5-dichloro-6-(2-chloro-5-fluorophenyl)-N-methylpyridin-2-amine
CID 102754069
6-(2-chloro-5-fluorophenyl)-5-methylpyrimidin-4-amine
CID 105396086
[5-(2-chloro-5-fluorophenyl)-2-methylphenyl]methanol
CID 172654205
4-chloro-6-fluoro-2-(5-fluoro-2-methylphenyl)quinazoline
CID 63085513
2-chloro-4-(2-chloro-5-fluorophenyl)-5-fluoropyrimidine
CID 105396029
5-fluoro-2,3,6-trimethylquinoxaline
CID 159261241
5-chloro-3-(2-chloro-5-fluorophenyl)-2-methoxyquinoxaline;1-[5-chloro-3-(2-chloro-5-fluorophenyl)quinoxalin-2-yl]ethanol
CID 158250214

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(2-chloro-5-fluorophenyl)-2,6-dimethylquinoxaline?
The IUPAC name of 5-chloro-3-(2-chloro-5-fluorophenyl)-2,6-dimethylquinoxaline (CID 163871354) is 5-chloro-3-(2-chloro-5-fluorophenyl)-2,6-dimethylquinoxaline.
What is the SMILES notation for 5-chloro-3-(2-chloro-5-fluorophenyl)-2,6-dimethylquinoxaline?
The canonical SMILES for 5-chloro-3-(2-chloro-5-fluorophenyl)-2,6-dimethylquinoxaline is Cc1ccc2nc(C)c(-c3cc(F)ccc3Cl)nc2c1Cl.
What is the InChIKey of 5-chloro-3-(2-chloro-5-fluorophenyl)-2,6-dimethylquinoxaline?
The InChIKey is PLBWIJRHUJZYRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl2FN2/c1-8-3-6-13-16(14(8)18)21-15(9(2)20-13)11-7-10(19)4-5-12(11)17/h3-7H,1-2H3.
What are the key properties of 5-chloro-3-(2-chloro-5-fluorophenyl)-2,6-dimethylquinoxaline?
5-chloro-3-(2-chloro-5-fluorophenyl)-2,6-dimethylquinoxaline has a molecular weight of 321.18 g/mol, XLogP of 5.36, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(2-chloro-5-fluorophenyl)-2,6-dimethylquinoxaline is sourced from PubChem (CID 163871354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).