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

C30H16F4N4 — CID 58161751

IUPAC5,8-bis(2,4-difluorophenyl)-2,3-dipyridin-2-ylquinoxaline
SMILESFc1ccc(-c2ccc(-c3ccc(F)cc3F)c3nc(-c4ccccn4)c(-c4ccccn4)nc23)c(F)c1
InChIInChI=1S/C30H16F4N4/c31-17-7-9-19(23(33)15-17)21-11-12-22(20-10-8-18(32)16-24(20)34)28-27(21)37-29(25-5-1-3-13-35-25)30(38-28)26-6-2-4-14-36-26/h1-16H
InChIKeyQKRPEQUFHRXROP-UHFFFAOYSA-N
MW508.48 g/mol
LogP7.64
Rot. Bonds4

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

5,8-bis(2,4-difluorophenyl)-2,3-dipyridin-2-ylquinoxaline (PubChem CID 58161751) has the molecular formula C30H16F4N4 and a molecular weight of 508.48 g/mol. Its IUPAC name is 5,8-bis(2,4-difluorophenyl)-2,3-dipyridin-2-ylquinoxaline.

Molecular Properties

Compound Name5,8-bis(2,4-difluorophenyl)-2,3-dipyridin-2-ylquinoxaline
PubChem CID58161751
Molecular FormulaC30H16F4N4
Molecular Weight508.48 g/mol
Exact Mass508.13
IUPAC Name5,8-bis(2,4-difluorophenyl)-2,3-dipyridin-2-ylquinoxaline
SMILESFc1ccc(-c2ccc(-c3ccc(F)cc3F)c3nc(-c4ccccn4)c(-c4ccccn4)nc23)c(F)c1
InChIInChI=1S/C30H16F4N4/c31-17-7-9-19(23(33)15-17)21-11-12-22(20-10-8-18(32)16-24(20)34)28-27(21)37-29(25-5-1-3-13-35-25)30(38-28)26-6-2-4-14-36-26/h1-16H
InChIKeyQKRPEQUFHRXROP-UHFFFAOYSA-N
XLogP7.64
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.48
LogP ≤ 57.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5,8-bis(2,4-difluorophenyl)-2,3-dipyridin-2-ylquinoxaline 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 5,8-bis(2,4-difluorophenyl)-2,3-dipyridin-2-ylquinoxaline?
The IUPAC name of 5,8-bis(2,4-difluorophenyl)-2,3-dipyridin-2-ylquinoxaline (CID 58161751) is 5,8-bis(2,4-difluorophenyl)-2,3-dipyridin-2-ylquinoxaline.
What is the SMILES notation for 5,8-bis(2,4-difluorophenyl)-2,3-dipyridin-2-ylquinoxaline?
The canonical SMILES for 5,8-bis(2,4-difluorophenyl)-2,3-dipyridin-2-ylquinoxaline is Fc1ccc(-c2ccc(-c3ccc(F)cc3F)c3nc(-c4ccccn4)c(-c4ccccn4)nc23)c(F)c1.
What is the InChIKey of 5,8-bis(2,4-difluorophenyl)-2,3-dipyridin-2-ylquinoxaline?
The InChIKey is QKRPEQUFHRXROP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H16F4N4/c31-17-7-9-19(23(33)15-17)21-11-12-22(20-10-8-18(32)16-24(20)34)28-27(21)37-29(25-5-1-3-13-35-25)30(38-28)26-6-2-4-14-36-26/h1-16H.
What are the key properties of 5,8-bis(2,4-difluorophenyl)-2,3-dipyridin-2-ylquinoxaline?
5,8-bis(2,4-difluorophenyl)-2,3-dipyridin-2-ylquinoxaline has a molecular weight of 508.48 g/mol, XLogP of 7.64, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-bis(2,4-difluorophenyl)-2,3-dipyridin-2-ylquinoxaline is sourced from PubChem (CID 58161751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).