2,3-bis(4-fluorophenyl)-5-methylquinoxaline

C21H14F2N2 — CID 5052636

IUPAC2,3-bis(4-fluorophenyl)-5-methylquinoxaline
SMILESCc1cccc2nc(-c3ccc(F)cc3)c(-c3ccc(F)cc3)nc12
InChIInChI=1S/C21H14F2N2/c1-13-3-2-4-18-19(13)25-21(15-7-11-17(23)12-8-15)20(24-18)14-5-9-16(22)10-6-14/h2-12H,1H3
InChIKeyYLUGSLHWUGRINM-UHFFFAOYSA-N
MW332.35 g/mol
LogP5.55
Rot. Bonds2

About 2,3-bis(4-fluorophenyl)-5-methylquinoxaline

2,3-bis(4-fluorophenyl)-5-methylquinoxaline (PubChem CID 5052636) has the molecular formula C21H14F2N2 and a molecular weight of 332.35 g/mol. Its IUPAC name is 2,3-bis(4-fluorophenyl)-5-methylquinoxaline.

Molecular Properties

Compound Name2,3-bis(4-fluorophenyl)-5-methylquinoxaline
PubChem CID5052636
Molecular FormulaC21H14F2N2
Molecular Weight332.35 g/mol
Exact Mass332.11
IUPAC Name2,3-bis(4-fluorophenyl)-5-methylquinoxaline
SMILESCc1cccc2nc(-c3ccc(F)cc3)c(-c3ccc(F)cc3)nc12
InChIInChI=1S/C21H14F2N2/c1-13-3-2-4-18-19(13)25-21(15-7-11-17(23)12-8-15)20(24-18)14-5-9-16(22)10-6-14/h2-12H,1H3
InChIKeyYLUGSLHWUGRINM-UHFFFAOYSA-N
XLogP5.55
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.35
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2,3-bis(4-fluorophenyl)-5-methylquinoxaline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,3-bis(4-fluorophenyl)-5-methylquinoxaline?
The IUPAC name of 2,3-bis(4-fluorophenyl)-5-methylquinoxaline (CID 5052636) is 2,3-bis(4-fluorophenyl)-5-methylquinoxaline.
What is the SMILES notation for 2,3-bis(4-fluorophenyl)-5-methylquinoxaline?
The canonical SMILES for 2,3-bis(4-fluorophenyl)-5-methylquinoxaline is Cc1cccc2nc(-c3ccc(F)cc3)c(-c3ccc(F)cc3)nc12.
What is the InChIKey of 2,3-bis(4-fluorophenyl)-5-methylquinoxaline?
The InChIKey is YLUGSLHWUGRINM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F2N2/c1-13-3-2-4-18-19(13)25-21(15-7-11-17(23)12-8-15)20(24-18)14-5-9-16(22)10-6-14/h2-12H,1H3.
What are the key properties of 2,3-bis(4-fluorophenyl)-5-methylquinoxaline?
2,3-bis(4-fluorophenyl)-5-methylquinoxaline has a molecular weight of 332.35 g/mol, XLogP of 5.55, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(4-fluorophenyl)-5-methylquinoxaline is sourced from PubChem (CID 5052636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).