5-[4-[2-(2-methoxyethoxy)ethoxy]-5-methylthiophen-2-yl]-8-methylquinoxaline

C19H22N2O3S — CID 59805065

IUPAC5-[4-[2-(2-methoxyethoxy)ethoxy]-5-methylthiophen-2-yl]-8-methylquinoxaline
SMILESCOCCOCCOc1cc(-c2ccc(C)c3nccnc23)sc1C
InChIInChI=1S/C19H22N2O3S/c1-13-4-5-15(19-18(13)20-6-7-21-19)17-12-16(14(2)25-17)24-11-10-23-9-8-22-3/h4-7,12H,8-11H2,1-3H3
InChIKeyXWTHSVHCPWNGRY-UHFFFAOYSA-N
MW358.46 g/mol
LogP4.02
Rot. Bonds8

About 5-[4-[2-(2-methoxyethoxy)ethoxy]-5-methylthiophen-2-yl]-8-methylquinoxaline

5-[4-[2-(2-methoxyethoxy)ethoxy]-5-methylthiophen-2-yl]-8-methylquinoxaline (PubChem CID 59805065) has the molecular formula C19H22N2O3S and a molecular weight of 358.46 g/mol. Its IUPAC name is 5-[4-[2-(2-methoxyethoxy)ethoxy]-5-methylthiophen-2-yl]-8-methylquinoxaline.

Molecular Properties

Compound Name5-[4-[2-(2-methoxyethoxy)ethoxy]-5-methylthiophen-2-yl]-8-methylquinoxaline
PubChem CID59805065
Molecular FormulaC19H22N2O3S
Molecular Weight358.46 g/mol
Exact Mass358.14
IUPAC Name5-[4-[2-(2-methoxyethoxy)ethoxy]-5-methylthiophen-2-yl]-8-methylquinoxaline
SMILESCOCCOCCOc1cc(-c2ccc(C)c3nccnc23)sc1C
InChIInChI=1S/C19H22N2O3S/c1-13-4-5-15(19-18(13)20-6-7-21-19)17-12-16(14(2)25-17)24-11-10-23-9-8-22-3/h4-7,12H,8-11H2,1-3H3
InChIKeyXWTHSVHCPWNGRY-UHFFFAOYSA-N
XLogP4.02
TPSA53.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[2-(2-methoxyethoxy)ethoxy]-5-methylthiophen-2-yl]-8-methylquinoxaline?
The IUPAC name of 5-[4-[2-(2-methoxyethoxy)ethoxy]-5-methylthiophen-2-yl]-8-methylquinoxaline (CID 59805065) is 5-[4-[2-(2-methoxyethoxy)ethoxy]-5-methylthiophen-2-yl]-8-methylquinoxaline.
What is the SMILES notation for 5-[4-[2-(2-methoxyethoxy)ethoxy]-5-methylthiophen-2-yl]-8-methylquinoxaline?
The canonical SMILES for 5-[4-[2-(2-methoxyethoxy)ethoxy]-5-methylthiophen-2-yl]-8-methylquinoxaline is COCCOCCOc1cc(-c2ccc(C)c3nccnc23)sc1C.
What is the InChIKey of 5-[4-[2-(2-methoxyethoxy)ethoxy]-5-methylthiophen-2-yl]-8-methylquinoxaline?
The InChIKey is XWTHSVHCPWNGRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3S/c1-13-4-5-15(19-18(13)20-6-7-21-19)17-12-16(14(2)25-17)24-11-10-23-9-8-22-3/h4-7,12H,8-11H2,1-3H3.
What are the key properties of 5-[4-[2-(2-methoxyethoxy)ethoxy]-5-methylthiophen-2-yl]-8-methylquinoxaline?
5-[4-[2-(2-methoxyethoxy)ethoxy]-5-methylthiophen-2-yl]-8-methylquinoxaline has a molecular weight of 358.46 g/mol, XLogP of 4.02, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[2-(2-methoxyethoxy)ethoxy]-5-methylthiophen-2-yl]-8-methylquinoxaline is sourced from PubChem (CID 59805065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).