4,9-bis(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-6,7-dimethyl-[1,2,5]thiadiazolo[3,4-g]quinoxaline

C22H16N4O4S3 — CID 102029077

IUPAC4,9-bis(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-6,7-dimethyl-[1,2,5]thiadiazolo[3,4-g]quinoxaline
SMILESCc1nc2c(-c3scc4c3OCCO4)c3nsnc3c(-c3scc4c3OCCO4)c2nc1C
InChIInChI=1S/C22H16N4O4S3/c1-9-10(2)24-16-14(22-20-12(8-32-22)28-4-6-30-20)18-17(25-33-26-18)13(15(16)23-9)21-19-11(7-31-21)27-3-5-29-19/h7-8H,3-6H2,1-2H3
InChIKeyBOBBMLSEPMCXDT-UHFFFAOYSA-N
MW496.60 g/mol
LogP5.25
Rot. Bonds2

About 4,9-bis(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-6,7-dimethyl-[1,2,5]thiadiazolo[3,4-g]quinoxaline

4,9-bis(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-6,7-dimethyl-[1,2,5]thiadiazolo[3,4-g]quinoxaline (PubChem CID 102029077) has the molecular formula C22H16N4O4S3 and a molecular weight of 496.60 g/mol. Its IUPAC name is 4,9-bis(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-6,7-dimethyl-[1,2,5]thiadiazolo[3,4-g]quinoxaline.

Molecular Properties

Compound Name4,9-bis(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-6,7-dimethyl-[1,2,5]thiadiazolo[3,4-g]quinoxaline
PubChem CID102029077
Molecular FormulaC22H16N4O4S3
Molecular Weight496.60 g/mol
Exact Mass496.03
IUPAC Name4,9-bis(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-6,7-dimethyl-[1,2,5]thiadiazolo[3,4-g]quinoxaline
SMILESCc1nc2c(-c3scc4c3OCCO4)c3nsnc3c(-c3scc4c3OCCO4)c2nc1C
InChIInChI=1S/C22H16N4O4S3/c1-9-10(2)24-16-14(22-20-12(8-32-22)28-4-6-30-20)18-17(25-33-26-18)13(15(16)23-9)21-19-11(7-31-21)27-3-5-29-19/h7-8H,3-6H2,1-2H3
InChIKeyBOBBMLSEPMCXDT-UHFFFAOYSA-N
XLogP5.25
TPSA88.48 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500496.60
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze 4,9-bis(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-6,7-dimethyl-[1,2,5]thiadiazolo[3,4-g]quinoxaline with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4,9-bis(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-6,7-dimethyl-[1,2,5]thiadiazolo[3,4-g]quinoxaline?
The IUPAC name of 4,9-bis(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-6,7-dimethyl-[1,2,5]thiadiazolo[3,4-g]quinoxaline (CID 102029077) is 4,9-bis(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-6,7-dimethyl-[1,2,5]thiadiazolo[3,4-g]quinoxaline.
What is the SMILES notation for 4,9-bis(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-6,7-dimethyl-[1,2,5]thiadiazolo[3,4-g]quinoxaline?
The canonical SMILES for 4,9-bis(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-6,7-dimethyl-[1,2,5]thiadiazolo[3,4-g]quinoxaline is Cc1nc2c(-c3scc4c3OCCO4)c3nsnc3c(-c3scc4c3OCCO4)c2nc1C.
What is the InChIKey of 4,9-bis(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-6,7-dimethyl-[1,2,5]thiadiazolo[3,4-g]quinoxaline?
The InChIKey is BOBBMLSEPMCXDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N4O4S3/c1-9-10(2)24-16-14(22-20-12(8-32-22)28-4-6-30-20)18-17(25-33-26-18)13(15(16)23-9)21-19-11(7-31-21)27-3-5-29-19/h7-8H,3-6H2,1-2H3.
What are the key properties of 4,9-bis(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-6,7-dimethyl-[1,2,5]thiadiazolo[3,4-g]quinoxaline?
4,9-bis(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-6,7-dimethyl-[1,2,5]thiadiazolo[3,4-g]quinoxaline has a molecular weight of 496.60 g/mol, XLogP of 5.25, 2 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 4,9-bis(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-6,7-dimethyl-[1,2,5]thiadiazolo[3,4-g]quinoxaline is sourced from PubChem (CID 102029077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).