thieno[3,4-b]quinoxaline-1,3-dicarbaldehyde

C12H6N2O2S — CID 10586230

IUPACthieno[3,4-b]quinoxaline-1,3-dicarbaldehyde
SMILESO=Cc1sc(C=O)c2nc3ccccc3nc12
InChIInChI=1S/C12H6N2O2S/c15-5-9-11-12(10(6-16)17-9)14-8-4-2-1-3-7(8)13-11/h1-6H
InChIKeyMCVBDYCUDSLHQY-UHFFFAOYSA-N
MW242.26 g/mol
LogP2.47
Rot. Bonds2

About thieno[3,4-b]quinoxaline-1,3-dicarbaldehyde

thieno[3,4-b]quinoxaline-1,3-dicarbaldehyde (PubChem CID 10586230) has the molecular formula C12H6N2O2S and a molecular weight of 242.26 g/mol. Its IUPAC name is thieno[3,4-b]quinoxaline-1,3-dicarbaldehyde.

Molecular Properties

Compound Namethieno[3,4-b]quinoxaline-1,3-dicarbaldehyde
PubChem CID10586230
Molecular FormulaC12H6N2O2S
Molecular Weight242.26 g/mol
Exact Mass242.01
IUPAC Namethieno[3,4-b]quinoxaline-1,3-dicarbaldehyde
SMILESO=Cc1sc(C=O)c2nc3ccccc3nc12
InChIInChI=1S/C12H6N2O2S/c15-5-9-11-12(10(6-16)17-9)14-8-4-2-1-3-7(8)13-11/h1-6H
InChIKeyMCVBDYCUDSLHQY-UHFFFAOYSA-N
XLogP2.47
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.26
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6,7-Dimethylthieno[3,4-b]quinoxaline-1,3-dicarbaldehyde
CID 10588101
Dimethyl 2-[(3-formylthieno[3,4-b]quinoxalin-1-yl)methylidene]-1,3-dithiole-4,5-dicarboxylate
CID 11385240
3-Aminothieno[2,3-b]quinoxaline-2-carboxamide
CID 15828723
17-Thia-2,9,12,13,14-pentazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12-heptaen-15-one
CID 147492909
13-Oxo-13lambda4,17-dithia-2,9,12,14-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16)-hexaen-15-one
CID 15828724
3-Acetamidothieno[3,2-b]quinoxaline-2-carboxamide
CID 15828725
13lambda4,17-Dithia-2,9,12,14-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,13-octaen-15-one
CID 15828734
3-Thiophen-2-ylquinoxaline-2-carbaldehyde
CID 71559850
Selenopheno[3,4-b]quinoxaline-1,3-dicarbaldehyde
CID 85871255

Frequently Asked Questions

What is the IUPAC name of thieno[3,4-b]quinoxaline-1,3-dicarbaldehyde?
The IUPAC name of thieno[3,4-b]quinoxaline-1,3-dicarbaldehyde (CID 10586230) is thieno[3,4-b]quinoxaline-1,3-dicarbaldehyde.
What is the SMILES notation for thieno[3,4-b]quinoxaline-1,3-dicarbaldehyde?
The canonical SMILES for thieno[3,4-b]quinoxaline-1,3-dicarbaldehyde is O=Cc1sc(C=O)c2nc3ccccc3nc12.
What is the InChIKey of thieno[3,4-b]quinoxaline-1,3-dicarbaldehyde?
The InChIKey is MCVBDYCUDSLHQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6N2O2S/c15-5-9-11-12(10(6-16)17-9)14-8-4-2-1-3-7(8)13-11/h1-6H.
What are the key properties of thieno[3,4-b]quinoxaline-1,3-dicarbaldehyde?
thieno[3,4-b]quinoxaline-1,3-dicarbaldehyde has a molecular weight of 242.26 g/mol, XLogP of 2.47, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for thieno[3,4-b]quinoxaline-1,3-dicarbaldehyde is sourced from PubChem (CID 10586230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).