6-fluoro-2,3-bis(4-methylphenyl)quinoxaline

C22H17FN2 — CID 5001968

IUPAC6-fluoro-2,3-bis(4-methylphenyl)quinoxaline
SMILESCc1ccc(-c2nc3ccc(F)cc3nc2-c2ccc(C)cc2)cc1
InChIInChI=1S/C22H17FN2/c1-14-3-7-16(8-4-14)21-22(17-9-5-15(2)6-10-17)25-20-13-18(23)11-12-19(20)24-21/h3-13H,1-2H3
InChIKeyWBNZSIJXLYWNAP-UHFFFAOYSA-N
MW328.39 g/mol
LogP5.72
Rot. Bonds2

About 6-fluoro-2,3-bis(4-methylphenyl)quinoxaline

6-fluoro-2,3-bis(4-methylphenyl)quinoxaline (PubChem CID 5001968) has the molecular formula C22H17FN2 and a molecular weight of 328.39 g/mol. Its IUPAC name is 6-fluoro-2,3-bis(4-methylphenyl)quinoxaline.

Molecular Properties

Compound Name6-fluoro-2,3-bis(4-methylphenyl)quinoxaline
PubChem CID5001968
Molecular FormulaC22H17FN2
Molecular Weight328.39 g/mol
Exact Mass328.14
IUPAC Name6-fluoro-2,3-bis(4-methylphenyl)quinoxaline
SMILESCc1ccc(-c2nc3ccc(F)cc3nc2-c2ccc(C)cc2)cc1
InChIInChI=1S/C22H17FN2/c1-14-3-7-16(8-4-14)21-22(17-9-5-15(2)6-10-17)25-20-13-18(23)11-12-19(20)24-21/h3-13H,1-2H3
InChIKeyWBNZSIJXLYWNAP-UHFFFAOYSA-N
XLogP5.72
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.39
LogP ≤ 55.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2,3-bis(4-methylphenyl)quinoxaline?
The IUPAC name of 6-fluoro-2,3-bis(4-methylphenyl)quinoxaline (CID 5001968) is 6-fluoro-2,3-bis(4-methylphenyl)quinoxaline.
What is the SMILES notation for 6-fluoro-2,3-bis(4-methylphenyl)quinoxaline?
The canonical SMILES for 6-fluoro-2,3-bis(4-methylphenyl)quinoxaline is Cc1ccc(-c2nc3ccc(F)cc3nc2-c2ccc(C)cc2)cc1.
What is the InChIKey of 6-fluoro-2,3-bis(4-methylphenyl)quinoxaline?
The InChIKey is WBNZSIJXLYWNAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN2/c1-14-3-7-16(8-4-14)21-22(17-9-5-15(2)6-10-17)25-20-13-18(23)11-12-19(20)24-21/h3-13H,1-2H3.
What are the key properties of 6-fluoro-2,3-bis(4-methylphenyl)quinoxaline?
6-fluoro-2,3-bis(4-methylphenyl)quinoxaline has a molecular weight of 328.39 g/mol, XLogP of 5.72, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2,3-bis(4-methylphenyl)quinoxaline is sourced from PubChem (CID 5001968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).