Ethyl 4-(3,4-dimethoxyphenyl)-6,7-dimethoxy-2-thiomorpholinomethylquinoline-3-carboxylate

HCID 22097633

Basic information

Standard SMILES
CCOC(=O)c1c(CN2CCSCC2)nc2cc(OC)c(OC)cc2c1-c1ccc(OC)c(OC)c1
InChIKey
PWNAVYRQBRWBQL-UHFFFAOYSA-N
Molecular formula
C27H32N2O6S
Average molar mass
512.6 g/mol
Monoisotopic mass
512.19810792

Names & identifiers

Preferred name
Ethyl 4-(3,4-dimethoxyphenyl)-6,7-dimethoxy-2-thiomorpholinomethylquinoline-3-carboxylate
IUPAC
ethyl 4-(3,4-dimethoxyphenyl)-6,7-dimethoxy-2-(thiomorpholin-4-ylmethyl)quinoline-3-carboxylate

Names & synonyms

SCHEMBL8124623PWNAVYRQBRWBQL-UHFFFAOYSA-Nethyl 4-(3,4-dimethoxyphenyl)-6,7-dimethoxy-2-thiomorpholinomethyl-quinoline-3-carboxylateethyl 4-(3,4-dimethoxyphenyl)-6,7-dimethoxy-2-thiomorpholinomethylquinoline-3-carboxylate

Database identifiers

PubChem CID
22097633

Properties

Computed structural properties

XLogP
4.2
Topological polar surface area
105 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
9
Rotatable bonds
10
Heavy atoms
36

Related reactions

4 records

Compound notes

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