3-(5,6-dimethoxy-1-benzothiophen-2-yl)quinoline

C19H15NO2S — CID 91577911

IUPAC3-(5,6-dimethoxy-1-benzothiophen-2-yl)quinoline
SMILESCOc1cc2cc(-c3cnc4ccccc4c3)sc2cc1OC
InChIInChI=1S/C19H15NO2S/c1-21-16-8-13-9-18(23-19(13)10-17(16)22-2)14-7-12-5-3-4-6-15(12)20-11-14/h3-11H,1-2H3
InChIKeyBKKWQFCNCGRVIQ-UHFFFAOYSA-N
MW321.40 g/mol
LogP5.13
Rot. Bonds3

About 3-(5,6-dimethoxy-1-benzothiophen-2-yl)quinoline

3-(5,6-dimethoxy-1-benzothiophen-2-yl)quinoline (PubChem CID 91577911) has the molecular formula C19H15NO2S and a molecular weight of 321.40 g/mol. Its IUPAC name is 3-(5,6-dimethoxy-1-benzothiophen-2-yl)quinoline.

Molecular Properties

Compound Name3-(5,6-dimethoxy-1-benzothiophen-2-yl)quinoline
PubChem CID91577911
Molecular FormulaC19H15NO2S
Molecular Weight321.40 g/mol
Exact Mass321.08
IUPAC Name3-(5,6-dimethoxy-1-benzothiophen-2-yl)quinoline
SMILESCOc1cc2cc(-c3cnc4ccccc4c3)sc2cc1OC
InChIInChI=1S/C19H15NO2S/c1-21-16-8-13-9-18(23-19(13)10-17(16)22-2)14-7-12-5-3-4-6-15(12)20-11-14/h3-11H,1-2H3
InChIKeyBKKWQFCNCGRVIQ-UHFFFAOYSA-N
XLogP5.13
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.40
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Rpr-101511
CID 9903563
6-Methoxy-3-thiophen-3-yl-quinoline
CID 10083051
7-Thiophen-3-yl-[1,3]dioxolo[4,5-g]quinoline
CID 10083695
6,7-Dimethoxy-3-thiophen-2-yl-quinoline
CID 10468421
6,7-Dimethoxy-3-(5-methoxy-thiophen-2-yl)-quinoline
CID 9972089
3-(5-Chloro-thiophen-2-yl)-6,7-dimethoxy-quinoline
CID 11779874
6,7-Dimethoxy-3-thiophen-3-ylisoquinoline
CID 25058227
1-Benzyl-4-[3-(5,6-dimethoxy-benzo[b]thiophen-2-yl)-3-oxo-propyl]-pyridinium
CID 10387306
3-(3-Chloro-thiophen-2-yl)-6,7-dimethoxy-quinoline
CID 10470384
7-Methoxy-3-thiophen-3-ylisoquinoline
CID 44142278
2-[2-[5-Methoxy-2-(4-methoxyphenyl)benzothiophen-3-yl]ethynyl]pyridine
CID 44142497
2-Methoxy-5-[5-methoxy-2-(4-methoxyphenyl)-1-benzothiophen-3-yl]pyridine
CID 44202207

Frequently Asked Questions

What is the IUPAC name of 3-(5,6-dimethoxy-1-benzothiophen-2-yl)quinoline?
The IUPAC name of 3-(5,6-dimethoxy-1-benzothiophen-2-yl)quinoline (CID 91577911) is 3-(5,6-dimethoxy-1-benzothiophen-2-yl)quinoline.
What is the SMILES notation for 3-(5,6-dimethoxy-1-benzothiophen-2-yl)quinoline?
The canonical SMILES for 3-(5,6-dimethoxy-1-benzothiophen-2-yl)quinoline is COc1cc2cc(-c3cnc4ccccc4c3)sc2cc1OC.
What is the InChIKey of 3-(5,6-dimethoxy-1-benzothiophen-2-yl)quinoline?
The InChIKey is BKKWQFCNCGRVIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO2S/c1-21-16-8-13-9-18(23-19(13)10-17(16)22-2)14-7-12-5-3-4-6-15(12)20-11-14/h3-11H,1-2H3.
What are the key properties of 3-(5,6-dimethoxy-1-benzothiophen-2-yl)quinoline?
3-(5,6-dimethoxy-1-benzothiophen-2-yl)quinoline has a molecular weight of 321.40 g/mol, XLogP of 5.13, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5,6-dimethoxy-1-benzothiophen-2-yl)quinoline is sourced from PubChem (CID 91577911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).