2-[5-[7-fluoro-3-(4-fluorophenyl)quinoxalin-2-yl]thiophen-2-yl]-3-(4-fluorophenyl)-6-methylquinoxaline

C33H19F3N4S — CID 58299264

IUPAC2-[5-[7-fluoro-3-(4-fluorophenyl)quinoxalin-2-yl]thiophen-2-yl]-3-(4-fluorophenyl)-6-methylquinoxaline
SMILESCc1ccc2nc(-c3ccc(-c4nc5cc(F)ccc5nc4-c4ccc(F)cc4)s3)c(-c3ccc(F)cc3)nc2c1
InChIInChI=1S/C33H19F3N4S/c1-18-2-12-24-26(16-18)39-31(20-5-9-22(35)10-6-20)32(38-24)28-14-15-29(41-28)33-30(19-3-7-21(34)8-4-19)37-25-13-11-23(36)17-27(25)40-33/h2-17H,1H3
InChIKeyVSLFCHWRGADDCR-UHFFFAOYSA-N
MW560.60 g/mol
LogP9.03
Rot. Bonds4

About 2-[5-[7-fluoro-3-(4-fluorophenyl)quinoxalin-2-yl]thiophen-2-yl]-3-(4-fluorophenyl)-6-methylquinoxaline

2-[5-[7-fluoro-3-(4-fluorophenyl)quinoxalin-2-yl]thiophen-2-yl]-3-(4-fluorophenyl)-6-methylquinoxaline (PubChem CID 58299264) has the molecular formula C33H19F3N4S and a molecular weight of 560.60 g/mol. Its IUPAC name is 2-[5-[7-fluoro-3-(4-fluorophenyl)quinoxalin-2-yl]thiophen-2-yl]-3-(4-fluorophenyl)-6-methylquinoxaline.

Molecular Properties

Compound Name2-[5-[7-fluoro-3-(4-fluorophenyl)quinoxalin-2-yl]thiophen-2-yl]-3-(4-fluorophenyl)-6-methylquinoxaline
PubChem CID58299264
Molecular FormulaC33H19F3N4S
Molecular Weight560.60 g/mol
Exact Mass560.13
IUPAC Name2-[5-[7-fluoro-3-(4-fluorophenyl)quinoxalin-2-yl]thiophen-2-yl]-3-(4-fluorophenyl)-6-methylquinoxaline
SMILESCc1ccc2nc(-c3ccc(-c4nc5cc(F)ccc5nc4-c4ccc(F)cc4)s3)c(-c3ccc(F)cc3)nc2c1
InChIInChI=1S/C33H19F3N4S/c1-18-2-12-24-26(16-18)39-31(20-5-9-22(35)10-6-20)32(38-24)28-14-15-29(41-28)33-30(19-3-7-21(34)8-4-19)37-25-13-11-23(36)17-27(25)40-33/h2-17H,1H3
InChIKeyVSLFCHWRGADDCR-UHFFFAOYSA-N
XLogP9.03
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.60
LogP ≤ 59.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[7-fluoro-3-(4-fluorophenyl)quinoxalin-2-yl]thiophen-2-yl]-3-(4-fluorophenyl)-6-methylquinoxaline?
The IUPAC name of 2-[5-[7-fluoro-3-(4-fluorophenyl)quinoxalin-2-yl]thiophen-2-yl]-3-(4-fluorophenyl)-6-methylquinoxaline (CID 58299264) is 2-[5-[7-fluoro-3-(4-fluorophenyl)quinoxalin-2-yl]thiophen-2-yl]-3-(4-fluorophenyl)-6-methylquinoxaline.
What is the SMILES notation for 2-[5-[7-fluoro-3-(4-fluorophenyl)quinoxalin-2-yl]thiophen-2-yl]-3-(4-fluorophenyl)-6-methylquinoxaline?
The canonical SMILES for 2-[5-[7-fluoro-3-(4-fluorophenyl)quinoxalin-2-yl]thiophen-2-yl]-3-(4-fluorophenyl)-6-methylquinoxaline is Cc1ccc2nc(-c3ccc(-c4nc5cc(F)ccc5nc4-c4ccc(F)cc4)s3)c(-c3ccc(F)cc3)nc2c1.
What is the InChIKey of 2-[5-[7-fluoro-3-(4-fluorophenyl)quinoxalin-2-yl]thiophen-2-yl]-3-(4-fluorophenyl)-6-methylquinoxaline?
The InChIKey is VSLFCHWRGADDCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H19F3N4S/c1-18-2-12-24-26(16-18)39-31(20-5-9-22(35)10-6-20)32(38-24)28-14-15-29(41-28)33-30(19-3-7-21(34)8-4-19)37-25-13-11-23(36)17-27(25)40-33/h2-17H,1H3.
What are the key properties of 2-[5-[7-fluoro-3-(4-fluorophenyl)quinoxalin-2-yl]thiophen-2-yl]-3-(4-fluorophenyl)-6-methylquinoxaline?
2-[5-[7-fluoro-3-(4-fluorophenyl)quinoxalin-2-yl]thiophen-2-yl]-3-(4-fluorophenyl)-6-methylquinoxaline has a molecular weight of 560.60 g/mol, XLogP of 9.03, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[7-fluoro-3-(4-fluorophenyl)quinoxalin-2-yl]thiophen-2-yl]-3-(4-fluorophenyl)-6-methylquinoxaline is sourced from PubChem (CID 58299264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).