1-(2,5-dichlorothiophen-3-yl)-2-quinolin-2-ylethanol

C15H11Cl2NOS — CID 107967248

IUPAC1-(2,5-dichlorothiophen-3-yl)-2-quinolin-2-ylethanol
SMILESOC(Cc1ccc2ccccc2n1)c1cc(Cl)sc1Cl
InChIInChI=1S/C15H11Cl2NOS/c16-14-8-11(15(17)20-14)13(19)7-10-6-5-9-3-1-2-4-12(9)18-10/h1-6,8,13,19H,7H2
InChIKeyDQABXSIJADJQJM-UHFFFAOYSA-N
MW324.23 g/mol
LogP4.88
Rot. Bonds3

About 1-(2,5-dichlorothiophen-3-yl)-2-quinolin-2-ylethanol

1-(2,5-dichlorothiophen-3-yl)-2-quinolin-2-ylethanol (PubChem CID 107967248) has the molecular formula C15H11Cl2NOS and a molecular weight of 324.23 g/mol. Its IUPAC name is 1-(2,5-dichlorothiophen-3-yl)-2-quinolin-2-ylethanol.

Molecular Properties

Compound Name1-(2,5-dichlorothiophen-3-yl)-2-quinolin-2-ylethanol
PubChem CID107967248
Molecular FormulaC15H11Cl2NOS
Molecular Weight324.23 g/mol
Exact Mass322.99
IUPAC Name1-(2,5-dichlorothiophen-3-yl)-2-quinolin-2-ylethanol
SMILESOC(Cc1ccc2ccccc2n1)c1cc(Cl)sc1Cl
InChIInChI=1S/C15H11Cl2NOS/c16-14-8-11(15(17)20-14)13(19)7-10-6-5-9-3-1-2-4-12(9)18-10/h1-6,8,13,19H,7H2
InChIKeyDQABXSIJADJQJM-UHFFFAOYSA-N
XLogP4.88
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.23
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-chloro-1,3-thiazol-2-yl)-2-quinolin-2-ylethanol
CID 107124923
1-(2,5-dichlorothiophen-3-yl)-2-naphthalen-1-ylethanol
CID 107965715
(1R)-1-phenyl-2-quinolin-2-ylethanol
CID 92849987
2-(5-bromo-2-pyridinyl)-1-(2,5-dichlorothiophen-3-yl)ethanol
CID 107969876
1-(3-chlorothiophen-2-yl)-2-quinolin-2-ylethanol
CID 80642058
1-(5-chlorothiophen-2-yl)-2-quinolin-2-ylethanamine
CID 62277076
1-(2,5-dichlorothiophen-3-yl)-2-(4-methoxyphenyl)ethanol
CID 61081417
1-(2-methyl-4-pyridinyl)-2-quinolin-2-ylethanol
CID 106756244
3-(1-hydroxy-2-quinolin-2-ylethyl)benzonitrile
CID 115481180
2-quinolin-2-yl-1-[4-(trifluoromethyl)phenyl]ethanol
CID 2778952
1-cyclopropyl-2-quinolin-2-ylethanol
CID 63353009
2-[2-bromo-2-(2,4-dichlorophenyl)ethyl]quinoline
CID 66459431

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorothiophen-3-yl)-2-quinolin-2-ylethanol?
The IUPAC name of 1-(2,5-dichlorothiophen-3-yl)-2-quinolin-2-ylethanol (CID 107967248) is 1-(2,5-dichlorothiophen-3-yl)-2-quinolin-2-ylethanol.
What is the SMILES notation for 1-(2,5-dichlorothiophen-3-yl)-2-quinolin-2-ylethanol?
The canonical SMILES for 1-(2,5-dichlorothiophen-3-yl)-2-quinolin-2-ylethanol is OC(Cc1ccc2ccccc2n1)c1cc(Cl)sc1Cl.
What is the InChIKey of 1-(2,5-dichlorothiophen-3-yl)-2-quinolin-2-ylethanol?
The InChIKey is DQABXSIJADJQJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2NOS/c16-14-8-11(15(17)20-14)13(19)7-10-6-5-9-3-1-2-4-12(9)18-10/h1-6,8,13,19H,7H2.
What are the key properties of 1-(2,5-dichlorothiophen-3-yl)-2-quinolin-2-ylethanol?
1-(2,5-dichlorothiophen-3-yl)-2-quinolin-2-ylethanol has a molecular weight of 324.23 g/mol, XLogP of 4.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorothiophen-3-yl)-2-quinolin-2-ylethanol is sourced from PubChem (CID 107967248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).