2-(5-ethylthiophen-2-yl)-1-isoquinolin-4-ylethanol

C17H17NOS — CID 104504624

IUPAC2-(5-ethylthiophen-2-yl)-1-isoquinolin-4-ylethanol
SMILESCCc1ccc(CC(O)c2cncc3ccccc23)s1
InChIInChI=1S/C17H17NOS/c1-2-13-7-8-14(20-13)9-17(19)16-11-18-10-12-5-3-4-6-15(12)16/h3-8,10-11,17,19H,2,9H2,1H3
InChIKeyJATAXSUOUCYPRH-UHFFFAOYSA-N
MW283.40 g/mol
LogP4.13
Rot. Bonds4

About 2-(5-ethylthiophen-2-yl)-1-isoquinolin-4-ylethanol

2-(5-ethylthiophen-2-yl)-1-isoquinolin-4-ylethanol (PubChem CID 104504624) has the molecular formula C17H17NOS and a molecular weight of 283.40 g/mol. Its IUPAC name is 2-(5-ethylthiophen-2-yl)-1-isoquinolin-4-ylethanol.

Molecular Properties

Compound Name2-(5-ethylthiophen-2-yl)-1-isoquinolin-4-ylethanol
PubChem CID104504624
Molecular FormulaC17H17NOS
Molecular Weight283.40 g/mol
Exact Mass283.10
IUPAC Name2-(5-ethylthiophen-2-yl)-1-isoquinolin-4-ylethanol
SMILESCCc1ccc(CC(O)c2cncc3ccccc23)s1
InChIInChI=1S/C17H17NOS/c1-2-13-7-8-14(20-13)9-17(19)16-11-18-10-12-5-3-4-6-15(12)16/h3-8,10-11,17,19H,2,9H2,1H3
InChIKeyJATAXSUOUCYPRH-UHFFFAOYSA-N
XLogP4.13
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-isoquinolin-4-ylpentan-1-ol
CID 63938213
2-(5-ethylthiophen-2-yl)-1-(2-methylquinolin-4-yl)ethanol
CID 79233820
1-isoquinolin-4-yl-2-methoxyethanol
CID 63940937
1-isoquinolin-4-yl-2-thiophen-3-ylethanol
CID 104504569
ethyl 3-hydroxy-3-isoquinolin-4-ylpropanoate
CID 104505059
1-isoquinolin-4-yl-2-propoxyethanol
CID 63938415
(1R)-1-isoquinolin-4-ylethanol
CID 102064621
2-(2-chloro-4-methylphenyl)-1-isoquinolin-4-ylethanol
CID 106866612
1-(1,5-dimethylpyrazol-4-yl)-2-(5-ethylthiophen-2-yl)ethanol
CID 79583541
1-(2,3-dimethylphenyl)-2-(5-ethylthiophen-2-yl)ethanol
CID 65148352
2-(2-bromo-5-fluorophenyl)-1-isoquinolin-4-ylethanol
CID 104504568
2-cycloheptyl-1-isoquinolin-4-ylethanol
CID 115798049

Frequently Asked Questions

What is the IUPAC name of 2-(5-ethylthiophen-2-yl)-1-isoquinolin-4-ylethanol?
The IUPAC name of 2-(5-ethylthiophen-2-yl)-1-isoquinolin-4-ylethanol (CID 104504624) is 2-(5-ethylthiophen-2-yl)-1-isoquinolin-4-ylethanol.
What is the SMILES notation for 2-(5-ethylthiophen-2-yl)-1-isoquinolin-4-ylethanol?
The canonical SMILES for 2-(5-ethylthiophen-2-yl)-1-isoquinolin-4-ylethanol is CCc1ccc(CC(O)c2cncc3ccccc23)s1.
What is the InChIKey of 2-(5-ethylthiophen-2-yl)-1-isoquinolin-4-ylethanol?
The InChIKey is JATAXSUOUCYPRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NOS/c1-2-13-7-8-14(20-13)9-17(19)16-11-18-10-12-5-3-4-6-15(12)16/h3-8,10-11,17,19H,2,9H2,1H3.
What are the key properties of 2-(5-ethylthiophen-2-yl)-1-isoquinolin-4-ylethanol?
2-(5-ethylthiophen-2-yl)-1-isoquinolin-4-ylethanol has a molecular weight of 283.40 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethylthiophen-2-yl)-1-isoquinolin-4-ylethanol is sourced from PubChem (CID 104504624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).