3-thiophen-2-ylquinoxaline-2-carbaldehyde

C13H8N2OS — CID 71559850

IUPAC3-thiophen-2-ylquinoxaline-2-carbaldehyde
SMILESO=Cc1nc2ccccc2nc1-c1cccs1
InChIInChI=1S/C13H8N2OS/c16-8-11-13(12-6-3-7-17-12)15-10-5-2-1-4-9(10)14-11/h1-8H
InChIKeySHBKVBWSUHWHJB-UHFFFAOYSA-N
MW240.29 g/mol
LogP3.17
Rot. Bonds2

About 3-thiophen-2-ylquinoxaline-2-carbaldehyde

3-thiophen-2-ylquinoxaline-2-carbaldehyde (PubChem CID 71559850) has the molecular formula C13H8N2OS and a molecular weight of 240.29 g/mol. Its IUPAC name is 3-thiophen-2-ylquinoxaline-2-carbaldehyde.

Molecular Properties

Compound Name3-thiophen-2-ylquinoxaline-2-carbaldehyde
PubChem CID71559850
Molecular FormulaC13H8N2OS
Molecular Weight240.29 g/mol
Exact Mass240.04
IUPAC Name3-thiophen-2-ylquinoxaline-2-carbaldehyde
SMILESO=Cc1nc2ccccc2nc1-c1cccs1
InChIInChI=1S/C13H8N2OS/c16-8-11-13(12-6-3-7-17-12)15-10-5-2-1-4-9(10)14-11/h1-8H
InChIKeySHBKVBWSUHWHJB-UHFFFAOYSA-N
XLogP3.17
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.29
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 3-thiophen-2-ylquinoxaline-2-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-Fluorophenyl)sulfanyl-1-(3-methylquinoxalin-2-yl)ethanone
CID 146000101
7-Fluoro-2-(thien-2-ilcarbonyl)-3-trifluoromethylquioxaline 1-oxide
CID 24205709
1-(3-Methylquinoxalin-2-yl)-2-phenylsulfanyl-ethanone
CID 145999296
Thieno[3,4-b]quinoxaline-1,3-dicarbaldehyde
CID 10586230
(3-Methylquinoxalin-2-yl)-thiophen-2-ylmethanone
CID 15644312
(3-Phenylquinoxalin-2-yl)-thiophen-2-ylmethanone
CID 15358522
Ethyl 3-(thiophen-2-ylmethyl)quinoxaline-2-carboxylate
CID 70485398
Quinoline-2-carbaldehyde;thiophene-2-carbaldehyde
CID 87189292
3-[(5-Phenylthiophen-2-yl)methyl]quinoxaline-2-carboxamide
CID 166141105
Quinoxalin-2-yl(thiophen-2-yl)methanone
CID 11333917
3-Ethylsulfanylquinoxaline-2-carbaldehyde
CID 12427310
3-Phenylsulfanylquinoxaline-2-carbaldehyde
CID 13168589

Frequently Asked Questions

What is the IUPAC name of 3-thiophen-2-ylquinoxaline-2-carbaldehyde?
The IUPAC name of 3-thiophen-2-ylquinoxaline-2-carbaldehyde (CID 71559850) is 3-thiophen-2-ylquinoxaline-2-carbaldehyde.
What is the SMILES notation for 3-thiophen-2-ylquinoxaline-2-carbaldehyde?
The canonical SMILES for 3-thiophen-2-ylquinoxaline-2-carbaldehyde is O=Cc1nc2ccccc2nc1-c1cccs1.
What is the InChIKey of 3-thiophen-2-ylquinoxaline-2-carbaldehyde?
The InChIKey is SHBKVBWSUHWHJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8N2OS/c16-8-11-13(12-6-3-7-17-12)15-10-5-2-1-4-9(10)14-11/h1-8H.
What are the key properties of 3-thiophen-2-ylquinoxaline-2-carbaldehyde?
3-thiophen-2-ylquinoxaline-2-carbaldehyde has a molecular weight of 240.29 g/mol, XLogP of 3.17, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-thiophen-2-ylquinoxaline-2-carbaldehyde is sourced from PubChem (CID 71559850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).