2,3-dithiophen-2-ylquinoxalin-6-ol

C16H10N2OS2 — CID 142989779

IUPAC2,3-dithiophen-2-ylquinoxalin-6-ol
SMILESOc1ccc2nc(-c3cccs3)c(-c3cccs3)nc2c1
InChIInChI=1S/C16H10N2OS2/c19-10-5-6-11-12(9-10)18-16(14-4-2-8-21-14)15(17-11)13-3-1-7-20-13/h1-9,19H
InChIKeyLBTLOMFROYZTKQ-UHFFFAOYSA-N
MW310.40 g/mol
LogP4.79
Rot. Bonds2

About 2,3-dithiophen-2-ylquinoxalin-6-ol

2,3-dithiophen-2-ylquinoxalin-6-ol (PubChem CID 142989779) has the molecular formula C16H10N2OS2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 2,3-dithiophen-2-ylquinoxalin-6-ol.

Molecular Properties

Compound Name2,3-dithiophen-2-ylquinoxalin-6-ol
PubChem CID142989779
Molecular FormulaC16H10N2OS2
Molecular Weight310.40 g/mol
Exact Mass310.02
IUPAC Name2,3-dithiophen-2-ylquinoxalin-6-ol
SMILESOc1ccc2nc(-c3cccs3)c(-c3cccs3)nc2c1
InChIInChI=1S/C16H10N2OS2/c19-10-5-6-11-12(9-10)18-16(14-4-2-8-21-14)15(17-11)13-3-1-7-20-13/h1-9,19H
InChIKeyLBTLOMFROYZTKQ-UHFFFAOYSA-N
XLogP4.79
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,3-dithiophen-2-ylquinoxalin-6-ol?
The IUPAC name of 2,3-dithiophen-2-ylquinoxalin-6-ol (CID 142989779) is 2,3-dithiophen-2-ylquinoxalin-6-ol.
What is the SMILES notation for 2,3-dithiophen-2-ylquinoxalin-6-ol?
The canonical SMILES for 2,3-dithiophen-2-ylquinoxalin-6-ol is Oc1ccc2nc(-c3cccs3)c(-c3cccs3)nc2c1.
What is the InChIKey of 2,3-dithiophen-2-ylquinoxalin-6-ol?
The InChIKey is LBTLOMFROYZTKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N2OS2/c19-10-5-6-11-12(9-10)18-16(14-4-2-8-21-14)15(17-11)13-3-1-7-20-13/h1-9,19H.
What are the key properties of 2,3-dithiophen-2-ylquinoxalin-6-ol?
2,3-dithiophen-2-ylquinoxalin-6-ol has a molecular weight of 310.40 g/mol, XLogP of 4.79, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dithiophen-2-ylquinoxalin-6-ol is sourced from PubChem (CID 142989779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).