6,7-dimethylthieno[3,4-b]quinoxaline-1,3-dicarbaldehyde

C14H10N2O2S — CID 10588101

IUPAC6,7-dimethylthieno[3,4-b]quinoxaline-1,3-dicarbaldehyde
SMILESCc1cc2nc3c(C=O)sc(C=O)c3nc2cc1C
InChIInChI=1S/C14H10N2O2S/c1-7-3-9-10(4-8(7)2)16-14-12(6-18)19-11(5-17)13(14)15-9/h3-6H,1-2H3
InChIKeyUFZNFBSBZHMDNX-UHFFFAOYSA-N
MW270.31 g/mol
LogP3.09
Rot. Bonds2

About 6,7-dimethylthieno[3,4-b]quinoxaline-1,3-dicarbaldehyde

6,7-dimethylthieno[3,4-b]quinoxaline-1,3-dicarbaldehyde (PubChem CID 10588101) has the molecular formula C14H10N2O2S and a molecular weight of 270.31 g/mol. Its IUPAC name is 6,7-dimethylthieno[3,4-b]quinoxaline-1,3-dicarbaldehyde.

Molecular Properties

Compound Name6,7-dimethylthieno[3,4-b]quinoxaline-1,3-dicarbaldehyde
PubChem CID10588101
Molecular FormulaC14H10N2O2S
Molecular Weight270.31 g/mol
Exact Mass270.05
IUPAC Name6,7-dimethylthieno[3,4-b]quinoxaline-1,3-dicarbaldehyde
SMILESCc1cc2nc3c(C=O)sc(C=O)c3nc2cc1C
InChIInChI=1S/C14H10N2O2S/c1-7-3-9-10(4-8(7)2)16-14-12(6-18)19-11(5-17)13(14)15-9/h3-6H,1-2H3
InChIKeyUFZNFBSBZHMDNX-UHFFFAOYSA-N
XLogP3.09
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 53.09
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
CID 10536595
Thieno[3,4-b]quinoxaline-1,3-dicarbaldehyde
CID 10586230

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethylthieno[3,4-b]quinoxaline-1,3-dicarbaldehyde?
The IUPAC name of 6,7-dimethylthieno[3,4-b]quinoxaline-1,3-dicarbaldehyde (CID 10588101) is 6,7-dimethylthieno[3,4-b]quinoxaline-1,3-dicarbaldehyde.
What is the SMILES notation for 6,7-dimethylthieno[3,4-b]quinoxaline-1,3-dicarbaldehyde?
The canonical SMILES for 6,7-dimethylthieno[3,4-b]quinoxaline-1,3-dicarbaldehyde is Cc1cc2nc3c(C=O)sc(C=O)c3nc2cc1C.
What is the InChIKey of 6,7-dimethylthieno[3,4-b]quinoxaline-1,3-dicarbaldehyde?
The InChIKey is UFZNFBSBZHMDNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O2S/c1-7-3-9-10(4-8(7)2)16-14-12(6-18)19-11(5-17)13(14)15-9/h3-6H,1-2H3.
What are the key properties of 6,7-dimethylthieno[3,4-b]quinoxaline-1,3-dicarbaldehyde?
6,7-dimethylthieno[3,4-b]quinoxaline-1,3-dicarbaldehyde has a molecular weight of 270.31 g/mol, XLogP of 3.09, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethylthieno[3,4-b]quinoxaline-1,3-dicarbaldehyde is sourced from PubChem (CID 10588101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).