2-(4-fluorophenyl)-6,7-dimethyl-3-pyridin-4-ylquinoxaline

C21H16FN3 — CID 45488168

IUPAC2-(4-fluorophenyl)-6,7-dimethyl-3-pyridin-4-ylquinoxaline
SMILESCc1cc2nc(-c3ccncc3)c(-c3ccc(F)cc3)nc2cc1C
InChIInChI=1S/C21H16FN3/c1-13-11-18-19(12-14(13)2)25-21(16-7-9-23-10-8-16)20(24-18)15-3-5-17(22)6-4-15/h3-12H,1-2H3
InChIKeyZKLLZEMFPXOTMY-UHFFFAOYSA-N
MW329.38 g/mol
LogP5.11
Rot. Bonds2

About 2-(4-fluorophenyl)-6,7-dimethyl-3-pyridin-4-ylquinoxaline

2-(4-fluorophenyl)-6,7-dimethyl-3-pyridin-4-ylquinoxaline (PubChem CID 45488168) has the molecular formula C21H16FN3 and a molecular weight of 329.38 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-6,7-dimethyl-3-pyridin-4-ylquinoxaline.

Molecular Properties

Compound Name2-(4-fluorophenyl)-6,7-dimethyl-3-pyridin-4-ylquinoxaline
PubChem CID45488168
Molecular FormulaC21H16FN3
Molecular Weight329.38 g/mol
Exact Mass329.13
IUPAC Name2-(4-fluorophenyl)-6,7-dimethyl-3-pyridin-4-ylquinoxaline
SMILESCc1cc2nc(-c3ccncc3)c(-c3ccc(F)cc3)nc2cc1C
InChIInChI=1S/C21H16FN3/c1-13-11-18-19(12-14(13)2)25-21(16-7-9-23-10-8-16)20(24-18)15-3-5-17(22)6-4-15/h3-12H,1-2H3
InChIKeyZKLLZEMFPXOTMY-UHFFFAOYSA-N
XLogP5.11
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.38
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-6,7-dimethyl-3-pyridin-4-ylquinoxaline?
The IUPAC name of 2-(4-fluorophenyl)-6,7-dimethyl-3-pyridin-4-ylquinoxaline (CID 45488168) is 2-(4-fluorophenyl)-6,7-dimethyl-3-pyridin-4-ylquinoxaline.
What is the SMILES notation for 2-(4-fluorophenyl)-6,7-dimethyl-3-pyridin-4-ylquinoxaline?
The canonical SMILES for 2-(4-fluorophenyl)-6,7-dimethyl-3-pyridin-4-ylquinoxaline is Cc1cc2nc(-c3ccncc3)c(-c3ccc(F)cc3)nc2cc1C.
What is the InChIKey of 2-(4-fluorophenyl)-6,7-dimethyl-3-pyridin-4-ylquinoxaline?
The InChIKey is ZKLLZEMFPXOTMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN3/c1-13-11-18-19(12-14(13)2)25-21(16-7-9-23-10-8-16)20(24-18)15-3-5-17(22)6-4-15/h3-12H,1-2H3.
What are the key properties of 2-(4-fluorophenyl)-6,7-dimethyl-3-pyridin-4-ylquinoxaline?
2-(4-fluorophenyl)-6,7-dimethyl-3-pyridin-4-ylquinoxaline has a molecular weight of 329.38 g/mol, XLogP of 5.11, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-6,7-dimethyl-3-pyridin-4-ylquinoxaline is sourced from PubChem (CID 45488168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).