3-(1-benzothiophen-2-yl)-6-ethyl-2-(4-fluorophenyl)quinoxaline

C24H17FN2S — CID 123963997

IUPAC3-(1-benzothiophen-2-yl)-6-ethyl-2-(4-fluorophenyl)quinoxaline
SMILESCCc1ccc2nc(-c3ccc(F)cc3)c(-c3cc4ccccc4s3)nc2c1
InChIInChI=1S/C24H17FN2S/c1-2-15-7-12-19-20(13-15)27-24(22-14-17-5-3-4-6-21(17)28-22)23(26-19)16-8-10-18(25)11-9-16/h3-14H,2H2,1H3
InChIKeyKVFRPSCTRPVHFX-UHFFFAOYSA-N
MW384.48 g/mol
LogP6.88
Rot. Bonds3

About 3-(1-benzothiophen-2-yl)-6-ethyl-2-(4-fluorophenyl)quinoxaline

3-(1-benzothiophen-2-yl)-6-ethyl-2-(4-fluorophenyl)quinoxaline (PubChem CID 123963997) has the molecular formula C24H17FN2S and a molecular weight of 384.48 g/mol. Its IUPAC name is 3-(1-benzothiophen-2-yl)-6-ethyl-2-(4-fluorophenyl)quinoxaline.

Molecular Properties

Compound Name3-(1-benzothiophen-2-yl)-6-ethyl-2-(4-fluorophenyl)quinoxaline
PubChem CID123963997
Molecular FormulaC24H17FN2S
Molecular Weight384.48 g/mol
Exact Mass384.11
IUPAC Name3-(1-benzothiophen-2-yl)-6-ethyl-2-(4-fluorophenyl)quinoxaline
SMILESCCc1ccc2nc(-c3ccc(F)cc3)c(-c3cc4ccccc4s3)nc2c1
InChIInChI=1S/C24H17FN2S/c1-2-15-7-12-19-20(13-15)27-24(22-14-17-5-3-4-6-21(17)28-22)23(26-19)16-8-10-18(25)11-9-16/h3-14H,2H2,1H3
InChIKeyKVFRPSCTRPVHFX-UHFFFAOYSA-N
XLogP6.88
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.48
LogP ≤ 56.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1-benzothiophen-2-yl)-6-ethyl-2-(4-fluorophenyl)quinoxaline?
The IUPAC name of 3-(1-benzothiophen-2-yl)-6-ethyl-2-(4-fluorophenyl)quinoxaline (CID 123963997) is 3-(1-benzothiophen-2-yl)-6-ethyl-2-(4-fluorophenyl)quinoxaline.
What is the SMILES notation for 3-(1-benzothiophen-2-yl)-6-ethyl-2-(4-fluorophenyl)quinoxaline?
The canonical SMILES for 3-(1-benzothiophen-2-yl)-6-ethyl-2-(4-fluorophenyl)quinoxaline is CCc1ccc2nc(-c3ccc(F)cc3)c(-c3cc4ccccc4s3)nc2c1.
What is the InChIKey of 3-(1-benzothiophen-2-yl)-6-ethyl-2-(4-fluorophenyl)quinoxaline?
The InChIKey is KVFRPSCTRPVHFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17FN2S/c1-2-15-7-12-19-20(13-15)27-24(22-14-17-5-3-4-6-21(17)28-22)23(26-19)16-8-10-18(25)11-9-16/h3-14H,2H2,1H3.
What are the key properties of 3-(1-benzothiophen-2-yl)-6-ethyl-2-(4-fluorophenyl)quinoxaline?
3-(1-benzothiophen-2-yl)-6-ethyl-2-(4-fluorophenyl)quinoxaline has a molecular weight of 384.48 g/mol, XLogP of 6.88, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzothiophen-2-yl)-6-ethyl-2-(4-fluorophenyl)quinoxaline is sourced from PubChem (CID 123963997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).