6,7-diethoxy-2-thiophen-3-ylquinoxaline;hydrochloride

C16H17ClN2O2S — CID 19063762

IUPAC6,7-diethoxy-2-thiophen-3-ylquinoxaline;hydrochloride
SMILESCCOc1cc2ncc(-c3ccsc3)nc2cc1OCC.Cl
InChIInChI=1S/C16H16N2O2S.ClH/c1-3-19-15-7-12-13(8-16(15)20-4-2)18-14(9-17-12)11-5-6-21-10-11;/h5-10H,3-4H2,1-2H3;1H
InChIKeyARTFEMFBGWBACJ-UHFFFAOYSA-N
MW336.84 g/mol
LogP4.58
Rot. Bonds5

About 6,7-diethoxy-2-thiophen-3-ylquinoxaline;hydrochloride

6,7-diethoxy-2-thiophen-3-ylquinoxaline;hydrochloride (PubChem CID 19063762) has the molecular formula C16H17ClN2O2S and a molecular weight of 336.84 g/mol. Its IUPAC name is 6,7-diethoxy-2-thiophen-3-ylquinoxaline;hydrochloride.

Molecular Properties

Compound Name6,7-diethoxy-2-thiophen-3-ylquinoxaline;hydrochloride
PubChem CID19063762
Molecular FormulaC16H17ClN2O2S
Molecular Weight336.84 g/mol
Exact Mass336.07
IUPAC Name6,7-diethoxy-2-thiophen-3-ylquinoxaline;hydrochloride
SMILESCCOc1cc2ncc(-c3ccsc3)nc2cc1OCC.Cl
InChIInChI=1S/C16H16N2O2S.ClH/c1-3-19-15-7-12-13(8-16(15)20-4-2)18-14(9-17-12)11-5-6-21-10-11;/h5-10H,3-4H2,1-2H3;1H
InChIKeyARTFEMFBGWBACJ-UHFFFAOYSA-N
XLogP4.58
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.84
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6,7-diethoxy-2-thiophen-3-ylquinoxaline;hydrochloride?
The IUPAC name of 6,7-diethoxy-2-thiophen-3-ylquinoxaline;hydrochloride (CID 19063762) is 6,7-diethoxy-2-thiophen-3-ylquinoxaline;hydrochloride.
What is the SMILES notation for 6,7-diethoxy-2-thiophen-3-ylquinoxaline;hydrochloride?
The canonical SMILES for 6,7-diethoxy-2-thiophen-3-ylquinoxaline;hydrochloride is CCOc1cc2ncc(-c3ccsc3)nc2cc1OCC.Cl.
What is the InChIKey of 6,7-diethoxy-2-thiophen-3-ylquinoxaline;hydrochloride?
The InChIKey is ARTFEMFBGWBACJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2S.ClH/c1-3-19-15-7-12-13(8-16(15)20-4-2)18-14(9-17-12)11-5-6-21-10-11;/h5-10H,3-4H2,1-2H3;1H.
What are the key properties of 6,7-diethoxy-2-thiophen-3-ylquinoxaline;hydrochloride?
6,7-diethoxy-2-thiophen-3-ylquinoxaline;hydrochloride has a molecular weight of 336.84 g/mol, XLogP of 4.58, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-diethoxy-2-thiophen-3-ylquinoxaline;hydrochloride is sourced from PubChem (CID 19063762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).