2-propylthieno[3,2-b]quinoxaline

C13H12N2S — CID 91667539

IUPAC2-propylthieno[3,2-b]quinoxaline
SMILESCCCc1cc2nc3ccccc3nc2s1
InChIInChI=1S/C13H12N2S/c1-2-5-9-8-12-13(16-9)15-11-7-4-3-6-10(11)14-12/h3-4,6-8H,2,5H2,1H3
InChIKeyIVCLZNWLDUQQKS-UHFFFAOYSA-N
MW228.32 g/mol
LogP3.80
Rot. Bonds2

About 2-propylthieno[3,2-b]quinoxaline

2-propylthieno[3,2-b]quinoxaline (PubChem CID 91667539) has the molecular formula C13H12N2S and a molecular weight of 228.32 g/mol. Its IUPAC name is 2-propylthieno[3,2-b]quinoxaline.

Molecular Properties

Compound Name2-propylthieno[3,2-b]quinoxaline
PubChem CID91667539
Molecular FormulaC13H12N2S
Molecular Weight228.32 g/mol
Exact Mass228.07
IUPAC Name2-propylthieno[3,2-b]quinoxaline
SMILESCCCc1cc2nc3ccccc3nc2s1
InChIInChI=1S/C13H12N2S/c1-2-5-9-8-12-13(16-9)15-11-7-4-3-6-10(11)14-12/h3-4,6-8H,2,5H2,1H3
InChIKeyIVCLZNWLDUQQKS-UHFFFAOYSA-N
XLogP3.80
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Thioquinox
CID 7159
2,2'-Bibenzothiazole
CID 350151
2-Benzothiazol-2-yl-quinoline
CID 699802
2-Tert-butylthieno[3,2-b]quinoxaline
CID 10824098
N,N-dimethyl-5-[(E)-2-quinoxalin-2-ylethenyl]thiophen-2-amine
CID 168282421
2-Butylsulfinyl-5-thiophen-2-yl-[1,3]thiazolo[5,4-b]pyridine
CID 118059103
2,3-DI-(2-Thienyl)quinoxaline
CID 4357317
2-Methyl-3-phenylsulfanylquinoxaline
CID 899293
2-Phenylthieno[2,3-b]quinoxaline
CID 11777489
2-(3,5-Difluorophenyl)thieno[3,2-b]quinoxaline
CID 118712789
Benzothiazole, 2,2'-(2,6-pyridinediyl)bis-
CID 762475
[1]Benzothieno[2,3-b]quinoxaline
CID 279101

Frequently Asked Questions

What is the IUPAC name of 2-propylthieno[3,2-b]quinoxaline?
The IUPAC name of 2-propylthieno[3,2-b]quinoxaline (CID 91667539) is 2-propylthieno[3,2-b]quinoxaline.
What is the SMILES notation for 2-propylthieno[3,2-b]quinoxaline?
The canonical SMILES for 2-propylthieno[3,2-b]quinoxaline is CCCc1cc2nc3ccccc3nc2s1.
What is the InChIKey of 2-propylthieno[3,2-b]quinoxaline?
The InChIKey is IVCLZNWLDUQQKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2S/c1-2-5-9-8-12-13(16-9)15-11-7-4-3-6-10(11)14-12/h3-4,6-8H,2,5H2,1H3.
What are the key properties of 2-propylthieno[3,2-b]quinoxaline?
2-propylthieno[3,2-b]quinoxaline has a molecular weight of 228.32 g/mol, XLogP of 3.80, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propylthieno[3,2-b]quinoxaline is sourced from PubChem (CID 91667539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).