2-(5-ethylthiophen-2-yl)-1-(2-methylquinolin-4-yl)ethanol

C18H19NOS — CID 79233820

IUPAC2-(5-ethylthiophen-2-yl)-1-(2-methylquinolin-4-yl)ethanol
SMILESCCc1ccc(CC(O)c2cc(C)nc3ccccc23)s1
InChIInChI=1S/C18H19NOS/c1-3-13-8-9-14(21-13)11-18(20)16-10-12(2)19-17-7-5-4-6-15(16)17/h4-10,18,20H,3,11H2,1-2H3
InChIKeyWIZHBKANKRFLKV-UHFFFAOYSA-N
MW297.42 g/mol
LogP4.44
Rot. Bonds4

About 2-(5-ethylthiophen-2-yl)-1-(2-methylquinolin-4-yl)ethanol

2-(5-ethylthiophen-2-yl)-1-(2-methylquinolin-4-yl)ethanol (PubChem CID 79233820) has the molecular formula C18H19NOS and a molecular weight of 297.42 g/mol. Its IUPAC name is 2-(5-ethylthiophen-2-yl)-1-(2-methylquinolin-4-yl)ethanol.

Molecular Properties

Compound Name2-(5-ethylthiophen-2-yl)-1-(2-methylquinolin-4-yl)ethanol
PubChem CID79233820
Molecular FormulaC18H19NOS
Molecular Weight297.42 g/mol
Exact Mass297.12
IUPAC Name2-(5-ethylthiophen-2-yl)-1-(2-methylquinolin-4-yl)ethanol
SMILESCCc1ccc(CC(O)c2cc(C)nc3ccccc23)s1
InChIInChI=1S/C18H19NOS/c1-3-13-8-9-14(21-13)11-18(20)16-10-12(2)19-17-7-5-4-6-15(16)17/h4-10,18,20H,3,11H2,1-2H3
InChIKeyWIZHBKANKRFLKV-UHFFFAOYSA-N
XLogP4.44
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methylquinolin-4-yl)pentan-1-ol
CID 79235698
2-(5-ethylthiophen-2-yl)-1-isoquinolin-4-ylethanol
CID 104504624
3-methyl-1-(2-methylquinolin-4-yl)pentan-1-ol
CID 79235619
2-(3-bromothiophen-2-yl)-1-(2-methylquinolin-4-yl)ethanol
CID 79235146
2-(3-chloro-4-pyridinyl)-1-(2-methylquinolin-4-yl)ethanol
CID 79234085
2-(5-bromothiophen-2-yl)-1-(2-methylquinolin-4-yl)ethanamine
CID 105134705
4,4-dimethyl-1-(2-methylquinolin-4-yl)pentan-1-ol
CID 79235538
2-(5-bromo-2-pyridinyl)-1-(2-methylquinolin-4-yl)ethanol
CID 104802241
3-cyclopropyl-1-(2-methylquinolin-4-yl)propan-1-ol
CID 105105790
3-methyl-1-(2-methylquinolin-4-yl)butan-2-ol
CID 63205399
1-(1,5-dimethylpyrazol-4-yl)-2-(5-ethylthiophen-2-yl)ethanol
CID 79583541
1-(2-methylquinolin-4-yl)-2-phenylethanamine
CID 105084872

Frequently Asked Questions

What is the IUPAC name of 2-(5-ethylthiophen-2-yl)-1-(2-methylquinolin-4-yl)ethanol?
The IUPAC name of 2-(5-ethylthiophen-2-yl)-1-(2-methylquinolin-4-yl)ethanol (CID 79233820) is 2-(5-ethylthiophen-2-yl)-1-(2-methylquinolin-4-yl)ethanol.
What is the SMILES notation for 2-(5-ethylthiophen-2-yl)-1-(2-methylquinolin-4-yl)ethanol?
The canonical SMILES for 2-(5-ethylthiophen-2-yl)-1-(2-methylquinolin-4-yl)ethanol is CCc1ccc(CC(O)c2cc(C)nc3ccccc23)s1.
What is the InChIKey of 2-(5-ethylthiophen-2-yl)-1-(2-methylquinolin-4-yl)ethanol?
The InChIKey is WIZHBKANKRFLKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NOS/c1-3-13-8-9-14(21-13)11-18(20)16-10-12(2)19-17-7-5-4-6-15(16)17/h4-10,18,20H,3,11H2,1-2H3.
What are the key properties of 2-(5-ethylthiophen-2-yl)-1-(2-methylquinolin-4-yl)ethanol?
2-(5-ethylthiophen-2-yl)-1-(2-methylquinolin-4-yl)ethanol has a molecular weight of 297.42 g/mol, XLogP of 4.44, 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-(2-methylquinolin-4-yl)ethanol is sourced from PubChem (CID 79233820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).