3,5-dimethoxy-2-thiophen-3-ylquinoxaline;hydrochloride

C14H13ClN2O2S — CID 69484788

IUPAC3,5-dimethoxy-2-thiophen-3-ylquinoxaline;hydrochloride
SMILESCOc1nc2c(OC)cccc2nc1-c1ccsc1.Cl
InChIInChI=1S/C14H12N2O2S.ClH/c1-17-11-5-3-4-10-13(11)16-14(18-2)12(15-10)9-6-7-19-8-9;/h3-8H,1-2H3;1H
InChIKeyDEANWRAKTLOSRS-UHFFFAOYSA-N
MW308.79 g/mol
LogP3.80
Rot. Bonds3

About 3,5-dimethoxy-2-thiophen-3-ylquinoxaline;hydrochloride

3,5-dimethoxy-2-thiophen-3-ylquinoxaline;hydrochloride (PubChem CID 69484788) has the molecular formula C14H13ClN2O2S and a molecular weight of 308.79 g/mol. Its IUPAC name is 3,5-dimethoxy-2-thiophen-3-ylquinoxaline;hydrochloride.

Molecular Properties

Compound Name3,5-dimethoxy-2-thiophen-3-ylquinoxaline;hydrochloride
PubChem CID69484788
Molecular FormulaC14H13ClN2O2S
Molecular Weight308.79 g/mol
Exact Mass308.04
IUPAC Name3,5-dimethoxy-2-thiophen-3-ylquinoxaline;hydrochloride
SMILESCOc1nc2c(OC)cccc2nc1-c1ccsc1.Cl
InChIInChI=1S/C14H12N2O2S.ClH/c1-17-11-5-3-4-10-13(11)16-14(18-2)12(15-10)9-6-7-19-8-9;/h3-8H,1-2H3;1H
InChIKeyDEANWRAKTLOSRS-UHFFFAOYSA-N
XLogP3.80
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.79
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxy-2-thiophen-3-ylquinoxaline;hydrochloride?
The IUPAC name of 3,5-dimethoxy-2-thiophen-3-ylquinoxaline;hydrochloride (CID 69484788) is 3,5-dimethoxy-2-thiophen-3-ylquinoxaline;hydrochloride.
What is the SMILES notation for 3,5-dimethoxy-2-thiophen-3-ylquinoxaline;hydrochloride?
The canonical SMILES for 3,5-dimethoxy-2-thiophen-3-ylquinoxaline;hydrochloride is COc1nc2c(OC)cccc2nc1-c1ccsc1.Cl.
What is the InChIKey of 3,5-dimethoxy-2-thiophen-3-ylquinoxaline;hydrochloride?
The InChIKey is DEANWRAKTLOSRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2S.ClH/c1-17-11-5-3-4-10-13(11)16-14(18-2)12(15-10)9-6-7-19-8-9;/h3-8H,1-2H3;1H.
What are the key properties of 3,5-dimethoxy-2-thiophen-3-ylquinoxaline;hydrochloride?
3,5-dimethoxy-2-thiophen-3-ylquinoxaline;hydrochloride has a molecular weight of 308.79 g/mol, XLogP of 3.80, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethoxy-2-thiophen-3-ylquinoxaline;hydrochloride is sourced from PubChem (CID 69484788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).