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)quinoxalin-5-yl]quinoxaline

C28H18N4O4S2 — CID 118437263

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)quinoxalin-5-yl]quinoxaline
SMILESc1cnc2c(-c3ccc(-c4scc5c4OCCO5)c4nccnc34)ccc(-c3scc4c3OCCO4)c2n1
InChIInChI=1S/C28H18N4O4S2/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/h1-8,13-14H,9-12H2
InChIKeyNCXDKOJJBALODV-UHFFFAOYSA-N
MW538.61 g/mol
LogP6.24
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)quinoxalin-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)quinoxalin-5-yl]quinoxaline (PubChem CID 118437263) has the molecular formula C28H18N4O4S2 and a molecular weight of 538.61 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)quinoxalin-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)quinoxalin-5-yl]quinoxaline
PubChem CID118437263
Molecular FormulaC28H18N4O4S2
Molecular Weight538.61 g/mol
Exact Mass538.08
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)quinoxalin-5-yl]quinoxaline
SMILESc1cnc2c(-c3ccc(-c4scc5c4OCCO5)c4nccnc34)ccc(-c3scc4c3OCCO4)c2n1
InChIInChI=1S/C28H18N4O4S2/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/h1-8,13-14H,9-12H2
InChIKeyNCXDKOJJBALODV-UHFFFAOYSA-N
XLogP6.24
TPSA88.48 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.61
LogP ≤ 56.24
H-Bond Donors ≤ 50
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)quinoxalin-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)quinoxalin-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)quinoxalin-5-yl]quinoxaline (CID 118437263) 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)quinoxalin-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)quinoxalin-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)quinoxalin-5-yl]quinoxaline is c1cnc2c(-c3ccc(-c4scc5c4OCCO5)c4nccnc34)ccc(-c3scc4c3OCCO4)c2n1.
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)quinoxalin-5-yl]quinoxaline?
The InChIKey is NCXDKOJJBALODV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H18N4O4S2/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/h1-8,13-14H,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)quinoxalin-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)quinoxalin-5-yl]quinoxaline has a molecular weight of 538.61 g/mol, XLogP of 6.24, 3 rotatable bonds, 0 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)quinoxalin-5-yl]quinoxaline is sourced from PubChem (CID 118437263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).