5-(2,4-difluorophenyl)-8-(2-fluoro-4-methylphenyl)-2,3-dipyridin-2-ylquinoxaline

C31H19F3N4 — CID 58161740

IUPAC5-(2,4-difluorophenyl)-8-(2-fluoro-4-methylphenyl)-2,3-dipyridin-2-ylquinoxaline
SMILESCc1ccc(-c2ccc(-c3ccc(F)cc3F)c3nc(-c4ccccn4)c(-c4ccccn4)nc23)c(F)c1
InChIInChI=1S/C31H19F3N4/c1-18-8-10-20(24(33)16-18)22-12-13-23(21-11-9-19(32)17-25(21)34)29-28(22)37-30(26-6-2-4-14-35-26)31(38-29)27-7-3-5-15-36-27/h2-17H,1H3
InChIKeyHCOWQLGWVTWQLX-UHFFFAOYSA-N
MW504.52 g/mol
LogP7.81
Rot. Bonds4

About 5-(2,4-difluorophenyl)-8-(2-fluoro-4-methylphenyl)-2,3-dipyridin-2-ylquinoxaline

5-(2,4-difluorophenyl)-8-(2-fluoro-4-methylphenyl)-2,3-dipyridin-2-ylquinoxaline (PubChem CID 58161740) has the molecular formula C31H19F3N4 and a molecular weight of 504.52 g/mol. Its IUPAC name is 5-(2,4-difluorophenyl)-8-(2-fluoro-4-methylphenyl)-2,3-dipyridin-2-ylquinoxaline.

Molecular Properties

Compound Name5-(2,4-difluorophenyl)-8-(2-fluoro-4-methylphenyl)-2,3-dipyridin-2-ylquinoxaline
PubChem CID58161740
Molecular FormulaC31H19F3N4
Molecular Weight504.52 g/mol
Exact Mass504.16
IUPAC Name5-(2,4-difluorophenyl)-8-(2-fluoro-4-methylphenyl)-2,3-dipyridin-2-ylquinoxaline
SMILESCc1ccc(-c2ccc(-c3ccc(F)cc3F)c3nc(-c4ccccn4)c(-c4ccccn4)nc23)c(F)c1
InChIInChI=1S/C31H19F3N4/c1-18-8-10-20(24(33)16-18)22-12-13-23(21-11-9-19(32)17-25(21)34)29-28(22)37-30(26-6-2-4-14-35-26)31(38-29)27-7-3-5-15-36-27/h2-17H,1H3
InChIKeyHCOWQLGWVTWQLX-UHFFFAOYSA-N
XLogP7.81
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.52
LogP ≤ 57.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2,4-difluorophenyl)-8-(2-fluoro-4-methylphenyl)-2,3-dipyridin-2-ylquinoxaline?
The IUPAC name of 5-(2,4-difluorophenyl)-8-(2-fluoro-4-methylphenyl)-2,3-dipyridin-2-ylquinoxaline (CID 58161740) is 5-(2,4-difluorophenyl)-8-(2-fluoro-4-methylphenyl)-2,3-dipyridin-2-ylquinoxaline.
What is the SMILES notation for 5-(2,4-difluorophenyl)-8-(2-fluoro-4-methylphenyl)-2,3-dipyridin-2-ylquinoxaline?
The canonical SMILES for 5-(2,4-difluorophenyl)-8-(2-fluoro-4-methylphenyl)-2,3-dipyridin-2-ylquinoxaline is Cc1ccc(-c2ccc(-c3ccc(F)cc3F)c3nc(-c4ccccn4)c(-c4ccccn4)nc23)c(F)c1.
What is the InChIKey of 5-(2,4-difluorophenyl)-8-(2-fluoro-4-methylphenyl)-2,3-dipyridin-2-ylquinoxaline?
The InChIKey is HCOWQLGWVTWQLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H19F3N4/c1-18-8-10-20(24(33)16-18)22-12-13-23(21-11-9-19(32)17-25(21)34)29-28(22)37-30(26-6-2-4-14-35-26)31(38-29)27-7-3-5-15-36-27/h2-17H,1H3.
What are the key properties of 5-(2,4-difluorophenyl)-8-(2-fluoro-4-methylphenyl)-2,3-dipyridin-2-ylquinoxaline?
5-(2,4-difluorophenyl)-8-(2-fluoro-4-methylphenyl)-2,3-dipyridin-2-ylquinoxaline has a molecular weight of 504.52 g/mol, XLogP of 7.81, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-difluorophenyl)-8-(2-fluoro-4-methylphenyl)-2,3-dipyridin-2-ylquinoxaline is sourced from PubChem (CID 58161740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).