1-(3-chlorothiophen-2-yl)-2-quinolin-2-ylethanol

C15H12ClNOS — CID 80642058

IUPAC1-(3-chlorothiophen-2-yl)-2-quinolin-2-ylethanol
SMILESOC(Cc1ccc2ccccc2n1)c1sccc1Cl
InChIInChI=1S/C15H12ClNOS/c16-12-7-8-19-15(12)14(18)9-11-6-5-10-3-1-2-4-13(10)17-11/h1-8,14,18H,9H2
InChIKeyWUSGDUNKJDMZGG-UHFFFAOYSA-N
MW289.79 g/mol
LogP4.23
Rot. Bonds3

About 1-(3-chlorothiophen-2-yl)-2-quinolin-2-ylethanol

1-(3-chlorothiophen-2-yl)-2-quinolin-2-ylethanol (PubChem CID 80642058) has the molecular formula C15H12ClNOS and a molecular weight of 289.79 g/mol. Its IUPAC name is 1-(3-chlorothiophen-2-yl)-2-quinolin-2-ylethanol.

Molecular Properties

Compound Name1-(3-chlorothiophen-2-yl)-2-quinolin-2-ylethanol
PubChem CID80642058
Molecular FormulaC15H12ClNOS
Molecular Weight289.79 g/mol
Exact Mass289.03
IUPAC Name1-(3-chlorothiophen-2-yl)-2-quinolin-2-ylethanol
SMILESOC(Cc1ccc2ccccc2n1)c1sccc1Cl
InChIInChI=1S/C15H12ClNOS/c16-12-7-8-19-15(12)14(18)9-11-6-5-10-3-1-2-4-13(10)17-11/h1-8,14,18H,9H2
InChIKeyWUSGDUNKJDMZGG-UHFFFAOYSA-N
XLogP4.23
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.79
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(3-chlorothiophen-2-yl)-2-quinolin-2-ylethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-chloro-2-(3-chlorothiophen-2-yl)ethyl]quinoline
CID 80642666
1-(2,5-dichlorothiophen-3-yl)-2-quinolin-2-ylethanol
CID 107967248
(1R)-1-phenyl-2-quinolin-2-ylethanol
CID 92849987
1-(5-chloro-1,3-thiazol-2-yl)-2-quinolin-2-ylethanol
CID 107124923
1-(3-chlorothiophen-2-yl)-2-(1,3-thiazol-2-yl)ethanol
CID 115822545
1-(3-chlorothiophen-2-yl)-2-(2,6-difluorophenyl)ethanol
CID 80529585
1-(3-chlorothiophen-2-yl)-2-(2,6-dimethylphenyl)ethanol
CID 115828463
2-(4-bromophenyl)-1-(3-chlorothiophen-2-yl)ethanol
CID 80530275
2-quinolin-2-yl-1-[4-(trifluoromethyl)phenyl]ethanol
CID 2778952
1-(3-chlorothiophen-2-yl)-2-(6-methoxypyrimidin-4-yl)ethanol
CID 113397524
1-cyclopropyl-2-quinolin-2-ylethanol
CID 63353009
4-(1-chloro-2-quinolin-2-ylethyl)-2-methyl-1,3-thiazole
CID 114031537

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorothiophen-2-yl)-2-quinolin-2-ylethanol?
The IUPAC name of 1-(3-chlorothiophen-2-yl)-2-quinolin-2-ylethanol (CID 80642058) is 1-(3-chlorothiophen-2-yl)-2-quinolin-2-ylethanol.
What is the SMILES notation for 1-(3-chlorothiophen-2-yl)-2-quinolin-2-ylethanol?
The canonical SMILES for 1-(3-chlorothiophen-2-yl)-2-quinolin-2-ylethanol is OC(Cc1ccc2ccccc2n1)c1sccc1Cl.
What is the InChIKey of 1-(3-chlorothiophen-2-yl)-2-quinolin-2-ylethanol?
The InChIKey is WUSGDUNKJDMZGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClNOS/c16-12-7-8-19-15(12)14(18)9-11-6-5-10-3-1-2-4-13(10)17-11/h1-8,14,18H,9H2.
What are the key properties of 1-(3-chlorothiophen-2-yl)-2-quinolin-2-ylethanol?
1-(3-chlorothiophen-2-yl)-2-quinolin-2-ylethanol has a molecular weight of 289.79 g/mol, XLogP of 4.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorothiophen-2-yl)-2-quinolin-2-ylethanol is sourced from PubChem (CID 80642058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).