5-[2-(1-benzothiophen-3-yl)ethyl]quinolin-8-ol

C19H15NOS — CID 58171225

IUPAC5-[2-(1-benzothiophen-3-yl)ethyl]quinolin-8-ol
SMILESOc1ccc(CCc2csc3ccccc23)c2cccnc12
InChIInChI=1S/C19H15NOS/c21-17-10-9-13(16-5-3-11-20-19(16)17)7-8-14-12-22-18-6-2-1-4-15(14)18/h1-6,9-12,21H,7-8H2
InChIKeyIEORUXTZLPORRJ-UHFFFAOYSA-N
MW305.40 g/mol
LogP4.94
Rot. Bonds3

About 5-[2-(1-benzothiophen-3-yl)ethyl]quinolin-8-ol

5-[2-(1-benzothiophen-3-yl)ethyl]quinolin-8-ol (PubChem CID 58171225) has the molecular formula C19H15NOS and a molecular weight of 305.40 g/mol. Its IUPAC name is 5-[2-(1-benzothiophen-3-yl)ethyl]quinolin-8-ol.

Molecular Properties

Compound Name5-[2-(1-benzothiophen-3-yl)ethyl]quinolin-8-ol
PubChem CID58171225
Molecular FormulaC19H15NOS
Molecular Weight305.40 g/mol
Exact Mass305.09
IUPAC Name5-[2-(1-benzothiophen-3-yl)ethyl]quinolin-8-ol
SMILESOc1ccc(CCc2csc3ccccc23)c2cccnc12
InChIInChI=1S/C19H15NOS/c21-17-10-9-13(16-5-3-11-20-19(16)17)7-8-14-12-22-18-6-2-1-4-15(14)18/h1-6,9-12,21H,7-8H2
InChIKeyIEORUXTZLPORRJ-UHFFFAOYSA-N
XLogP4.94
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(1-benzothiophen-3-yl)ethyl]quinolin-8-ol?
The IUPAC name of 5-[2-(1-benzothiophen-3-yl)ethyl]quinolin-8-ol (CID 58171225) is 5-[2-(1-benzothiophen-3-yl)ethyl]quinolin-8-ol.
What is the SMILES notation for 5-[2-(1-benzothiophen-3-yl)ethyl]quinolin-8-ol?
The canonical SMILES for 5-[2-(1-benzothiophen-3-yl)ethyl]quinolin-8-ol is Oc1ccc(CCc2csc3ccccc23)c2cccnc12.
What is the InChIKey of 5-[2-(1-benzothiophen-3-yl)ethyl]quinolin-8-ol?
The InChIKey is IEORUXTZLPORRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NOS/c21-17-10-9-13(16-5-3-11-20-19(16)17)7-8-14-12-22-18-6-2-1-4-15(14)18/h1-6,9-12,21H,7-8H2.
What are the key properties of 5-[2-(1-benzothiophen-3-yl)ethyl]quinolin-8-ol?
5-[2-(1-benzothiophen-3-yl)ethyl]quinolin-8-ol has a molecular weight of 305.40 g/mol, XLogP of 4.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(1-benzothiophen-3-yl)ethyl]quinolin-8-ol is sourced from PubChem (CID 58171225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).