3-[[3-[2-(7-Chloroquinolin-2-yl)ethenyl]phenyl]-[3-(dimethylamino)-3-oxopropyl]sulfanylmethyl]sulfanylpropanoic acid

HCID 60719

Basic information

Standard SMILES
CN(C)C(=O)CCSC(SCCC(=O)O)c1cccc(C=Cc2ccc3ccc(Cl)cc3n2)c1
InChIKey
AXUZQJFHDNNPFG-UHFFFAOYSA-N
Molecular formula
C26H27ClN2O3S2
Average molar mass
515.1 g/mol

Names & identifiers

Preferred name
3-[[3-[2-(7-Chloroquinolin-2-yl)ethenyl]phenyl]-[3-(dimethylamino)-3-oxopropyl]sulfanylmethyl]sulfanylpropanoic acid
IUPAC
3-[[3-[2-(7-chloroquinolin-2-yl)ethenyl]phenyl]-[3-(dimethylamino)-3-oxopropyl]sulfanylmethyl]sulfanylpropanoic acid

Names & synonyms

3-[[3-[2-(7-chloroquinolin-2-yl)ethenyl]phenyl]-[3-(dimethylamino)-3-oxopropyl]sulfanylmethyl]sulfanylpropanoic acid135028-15-8SCHEMBL2729252AXUZQJFHDNNPFG-UHFFFAOYSA-NMK-679; L 668019;MK-0679;MK0679;L668019;L-6680193-(((3-(2-(7-Chloroquinolin-2-yl)vinyl)phenyl)((3-(dimethylamino)-3-oxopropyl)thio)methyl)thio)propanoic acid778545-32-7KFA02815s8126AKOS030241351MK-571 (L-660711)(+)-5-(3-(2-(7-CHLOROQUINOLIN-2-YL)ETHENYL)PHENYL)-8-DIMETHYLCARBAMYL-4,6-DITHIAOCTANOIC ACID
Show more names
(-)-5-(3-(2-(7-CHLOROQUINOLIN-2-YL)ETHENYL)PHENYL)-8-DIMETHYLCARBAMYL-4,6-DITHIAOCTANOIC ACID3-([3-(2-[7-chloro-2-quinolinyl]ethenyl)phenyl-(3-dimethylamino-3-oxopropyl)-thio-methyl]thio)propanoic acid3-[({3-[2-(7-chloroquinolin-2-yl)ethenyl]phenyl}({[2-(dimethylcarbamoyl)ethyl]sulfanyl})methyl)sulfanyl]propanoic acid

Database identifiers

PubChem CID
60719

Properties

Computed structural properties

XLogP
5.3
Topological polar surface area
121 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
11
Heavy atoms
34

Related reactions

4 records

Compound notes

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3-[[3-[2-(7-Chloroquinolin-2-yl)ethenyl]phenyl]-[3-(dimethylamino)-3-oxopropyl]sulfanylmethyl]sulfanylpropanoic acid (HCID 60719)|Huagongshe