(3-Ethynyl-quinolin-6-yloxy)-methylsulfanyl-acetic acid

HCID 59565474
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Basic information

Standard SMILES
C#Cc1cnc2ccc(OC(SC)C(=O)O)cc2c1
InChIKey
OHRQEQUSBKVDQV-UHFFFAOYSA-N
Molecular formula
C14H11NO3S
Average molar mass
273.31 g/mol
Monoisotopic mass
273.04596439

Names & identifiers

Preferred name
(3-Ethynyl-quinolin-6-yloxy)-methylsulfanyl-acetic acid
IUPAC
2-(3-ethynylquinolin-6-yl)oxy-2-methylsulfanylacetic acid

Names & synonyms

SCHEMBL534549OHRQEQUSBKVDQV-UHFFFAOYSA-N(3-Ethynyl-quinolin-6-yloxy)-methylsulfanyl-acetic acid2-[(3-ethynyl-6-quinolyl)oxy]-2-methylsulfanyl-acetic acid

Database identifiers

PubChem CID
59565474

Properties

Computed structural properties

XLogP
2.8
Topological polar surface area
84.7 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
5
Heavy atoms
19

Related reactions

14 records
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Compound notes

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