5-(3,4-dimethoxythiophen-2-yl)-8-[8-(3,4-dimethoxythiophen-2-yl)quinoxalin-5-yl]quinoxaline

C28H22N4O4S2 — CID 118437251

IUPAC5-(3,4-dimethoxythiophen-2-yl)-8-[8-(3,4-dimethoxythiophen-2-yl)quinoxalin-5-yl]quinoxaline
SMILESCOc1csc(-c2ccc(-c3ccc(-c4scc(OC)c4OC)c4nccnc34)c3nccnc23)c1OC
InChIInChI=1S/C28H22N4O4S2/c1-33-19-13-37-27(25(19)35-3)17-7-5-15(21-23(17)31-11-9-29-21)16-6-8-18(24-22(16)30-10-12-32-24)28-26(36-4)20(34-2)14-38-28/h5-14H,1-4H3
InChIKeyWDIZTFXJRRVFQC-UHFFFAOYSA-N
MW542.64 g/mol
LogP6.73
Rot. Bonds7

About 5-(3,4-dimethoxythiophen-2-yl)-8-[8-(3,4-dimethoxythiophen-2-yl)quinoxalin-5-yl]quinoxaline

5-(3,4-dimethoxythiophen-2-yl)-8-[8-(3,4-dimethoxythiophen-2-yl)quinoxalin-5-yl]quinoxaline (PubChem CID 118437251) has the molecular formula C28H22N4O4S2 and a molecular weight of 542.64 g/mol. Its IUPAC name is 5-(3,4-dimethoxythiophen-2-yl)-8-[8-(3,4-dimethoxythiophen-2-yl)quinoxalin-5-yl]quinoxaline.

Molecular Properties

Compound Name5-(3,4-dimethoxythiophen-2-yl)-8-[8-(3,4-dimethoxythiophen-2-yl)quinoxalin-5-yl]quinoxaline
PubChem CID118437251
Molecular FormulaC28H22N4O4S2
Molecular Weight542.64 g/mol
Exact Mass542.11
IUPAC Name5-(3,4-dimethoxythiophen-2-yl)-8-[8-(3,4-dimethoxythiophen-2-yl)quinoxalin-5-yl]quinoxaline
SMILESCOc1csc(-c2ccc(-c3ccc(-c4scc(OC)c4OC)c4nccnc34)c3nccnc23)c1OC
InChIInChI=1S/C28H22N4O4S2/c1-33-19-13-37-27(25(19)35-3)17-7-5-15(21-23(17)31-11-9-29-21)16-6-8-18(24-22(16)30-10-12-32-24)28-26(36-4)20(34-2)14-38-28/h5-14H,1-4H3
InChIKeyWDIZTFXJRRVFQC-UHFFFAOYSA-N
XLogP6.73
TPSA88.48 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500542.64
LogP ≤ 56.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethoxythiophen-2-yl)-8-[8-(3,4-dimethoxythiophen-2-yl)quinoxalin-5-yl]quinoxaline?
The IUPAC name of 5-(3,4-dimethoxythiophen-2-yl)-8-[8-(3,4-dimethoxythiophen-2-yl)quinoxalin-5-yl]quinoxaline (CID 118437251) is 5-(3,4-dimethoxythiophen-2-yl)-8-[8-(3,4-dimethoxythiophen-2-yl)quinoxalin-5-yl]quinoxaline.
What is the SMILES notation for 5-(3,4-dimethoxythiophen-2-yl)-8-[8-(3,4-dimethoxythiophen-2-yl)quinoxalin-5-yl]quinoxaline?
The canonical SMILES for 5-(3,4-dimethoxythiophen-2-yl)-8-[8-(3,4-dimethoxythiophen-2-yl)quinoxalin-5-yl]quinoxaline is COc1csc(-c2ccc(-c3ccc(-c4scc(OC)c4OC)c4nccnc34)c3nccnc23)c1OC.
What is the InChIKey of 5-(3,4-dimethoxythiophen-2-yl)-8-[8-(3,4-dimethoxythiophen-2-yl)quinoxalin-5-yl]quinoxaline?
The InChIKey is WDIZTFXJRRVFQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22N4O4S2/c1-33-19-13-37-27(25(19)35-3)17-7-5-15(21-23(17)31-11-9-29-21)16-6-8-18(24-22(16)30-10-12-32-24)28-26(36-4)20(34-2)14-38-28/h5-14H,1-4H3.
What are the key properties of 5-(3,4-dimethoxythiophen-2-yl)-8-[8-(3,4-dimethoxythiophen-2-yl)quinoxalin-5-yl]quinoxaline?
5-(3,4-dimethoxythiophen-2-yl)-8-[8-(3,4-dimethoxythiophen-2-yl)quinoxalin-5-yl]quinoxaline has a molecular weight of 542.64 g/mol, XLogP of 6.73, 7 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethoxythiophen-2-yl)-8-[8-(3,4-dimethoxythiophen-2-yl)quinoxalin-5-yl]quinoxaline is sourced from PubChem (CID 118437251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).