5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-8-[8-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-3,4-dihydroquinoxalin-5-yl]quinoxaline

C28H20N4O4S2 — CID 118450071

IUPAC5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-8-[8-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-3,4-dihydroquinoxalin-5-yl]quinoxaline
SMILESC1=Nc2c(-c3scc4c3OCCO4)ccc(-c3ccc(-c4scc5c4OCCO5)c4nccnc34)c2NC1
InChIInChI=1S/C28H20N4O4S2/c1-3-17(27-25-19(13-37-27)33-9-11-35-25)23-21(29-5-7-31-23)15(1)16-2-4-18(24-22(16)30-6-8-32-24)28-26-20(14-38-28)34-10-12-36-26/h1-5,7-8,13-14,30H,6,9-12H2
InChIKeyKROOBBURHREVSX-UHFFFAOYSA-N
MW540.63 g/mol
LogP6.42
Rot. Bonds3

About 5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-8-[8-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-3,4-dihydroquinoxalin-5-yl]quinoxaline

5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-8-[8-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-3,4-dihydroquinoxalin-5-yl]quinoxaline (PubChem CID 118450071) has the molecular formula C28H20N4O4S2 and a molecular weight of 540.63 g/mol. Its IUPAC name is 5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-8-[8-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-3,4-dihydroquinoxalin-5-yl]quinoxaline.

Molecular Properties

Compound Name5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-8-[8-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-3,4-dihydroquinoxalin-5-yl]quinoxaline
PubChem CID118450071
Molecular FormulaC28H20N4O4S2
Molecular Weight540.63 g/mol
Exact Mass540.09
IUPAC Name5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-8-[8-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-3,4-dihydroquinoxalin-5-yl]quinoxaline
SMILESC1=Nc2c(-c3scc4c3OCCO4)ccc(-c3ccc(-c4scc5c4OCCO5)c4nccnc34)c2NC1
InChIInChI=1S/C28H20N4O4S2/c1-3-17(27-25-19(13-37-27)33-9-11-35-25)23-21(29-5-7-31-23)15(1)16-2-4-18(24-22(16)30-6-8-32-24)28-26-20(14-38-28)34-10-12-36-26/h1-5,7-8,13-14,30H,6,9-12H2
InChIKeyKROOBBURHREVSX-UHFFFAOYSA-N
XLogP6.42
TPSA87.09 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.63
LogP ≤ 56.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-8-[8-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-3,4-dihydroquinoxalin-5-yl]quinoxaline with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-8-[8-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-3,4-dihydroquinoxalin-5-yl]quinoxaline?
The IUPAC name of 5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-8-[8-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-3,4-dihydroquinoxalin-5-yl]quinoxaline (CID 118450071) is 5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-8-[8-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-3,4-dihydroquinoxalin-5-yl]quinoxaline.
What is the SMILES notation for 5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-8-[8-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-3,4-dihydroquinoxalin-5-yl]quinoxaline?
The canonical SMILES for 5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-8-[8-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-3,4-dihydroquinoxalin-5-yl]quinoxaline is C1=Nc2c(-c3scc4c3OCCO4)ccc(-c3ccc(-c4scc5c4OCCO5)c4nccnc34)c2NC1.
What is the InChIKey of 5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-8-[8-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-3,4-dihydroquinoxalin-5-yl]quinoxaline?
The InChIKey is KROOBBURHREVSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20N4O4S2/c1-3-17(27-25-19(13-37-27)33-9-11-35-25)23-21(29-5-7-31-23)15(1)16-2-4-18(24-22(16)30-6-8-32-24)28-26-20(14-38-28)34-10-12-36-26/h1-5,7-8,13-14,30H,6,9-12H2.
What are the key properties of 5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-8-[8-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-3,4-dihydroquinoxalin-5-yl]quinoxaline?
5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-8-[8-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-3,4-dihydroquinoxalin-5-yl]quinoxaline has a molecular weight of 540.63 g/mol, XLogP of 6.42, 3 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-8-[8-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-3,4-dihydroquinoxalin-5-yl]quinoxaline is sourced from PubChem (CID 118450071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).