6,7-dimethoxy-3-thiophen-2-ylquinoline

C15H13NO2S — CID 10468421

IUPAC6,7-dimethoxy-3-thiophen-2-ylquinoline
SMILESCOc1cc2cc(-c3cccs3)cnc2cc1OC
InChIInChI=1S/C15H13NO2S/c1-17-13-7-10-6-11(15-4-3-5-19-15)9-16-12(10)8-14(13)18-2/h3-9H,1-2H3
InChIKeyDWCZKFGISHBMCE-UHFFFAOYSA-N
MW271.34 g/mol
LogP3.98
Rot. Bonds3

About 6,7-dimethoxy-3-thiophen-2-ylquinoline

6,7-dimethoxy-3-thiophen-2-ylquinoline (PubChem CID 10468421) has the molecular formula C15H13NO2S and a molecular weight of 271.34 g/mol. Its IUPAC name is 6,7-dimethoxy-3-thiophen-2-ylquinoline.

Molecular Properties

Compound Name6,7-dimethoxy-3-thiophen-2-ylquinoline
PubChem CID10468421
Molecular FormulaC15H13NO2S
Molecular Weight271.34 g/mol
Exact Mass271.07
IUPAC Name6,7-dimethoxy-3-thiophen-2-ylquinoline
SMILESCOc1cc2cc(-c3cccs3)cnc2cc1OC
InChIInChI=1S/C15H13NO2S/c1-17-13-7-10-6-11(15-4-3-5-19-15)9-16-12(10)8-14(13)18-2/h3-9H,1-2H3
InChIKeyDWCZKFGISHBMCE-UHFFFAOYSA-N
XLogP3.98
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-3-thiophen-2-ylquinoline?
The IUPAC name of 6,7-dimethoxy-3-thiophen-2-ylquinoline (CID 10468421) is 6,7-dimethoxy-3-thiophen-2-ylquinoline.
What is the SMILES notation for 6,7-dimethoxy-3-thiophen-2-ylquinoline?
The canonical SMILES for 6,7-dimethoxy-3-thiophen-2-ylquinoline is COc1cc2cc(-c3cccs3)cnc2cc1OC.
What is the InChIKey of 6,7-dimethoxy-3-thiophen-2-ylquinoline?
The InChIKey is DWCZKFGISHBMCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO2S/c1-17-13-7-10-6-11(15-4-3-5-19-15)9-16-12(10)8-14(13)18-2/h3-9H,1-2H3.
What are the key properties of 6,7-dimethoxy-3-thiophen-2-ylquinoline?
6,7-dimethoxy-3-thiophen-2-ylquinoline has a molecular weight of 271.34 g/mol, XLogP of 3.98, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-3-thiophen-2-ylquinoline is sourced from PubChem (CID 10468421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).