4-{[(2-chloro-3-nitroquinolin-4-yl)amino]methyl}tetrahydro-2H-thiopyran-4-ol

HCID 86616865
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Basic information

Standard SMILES
O=[N+]([O-])c1c(Cl)nc2ccccc2c1NCC1(O)CCSCC1
InChIKey
XEMXJYZCMUDUMR-UHFFFAOYSA-N
Molecular formula
C15H16ClN3O3S
Average molar mass
353.8 g/mol

Names & identifiers

Preferred name
4-{[(2-chloro-3-nitroquinolin-4-yl)amino]methyl}tetrahydro-2H-thiopyran-4-ol
IUPAC
4-[[(2-chloro-3-nitroquinolin-4-yl)amino]methyl]thian-4-ol

Names & synonyms

SCHEMBL1141042XEMXJYZCMUDUMR-UHFFFAOYSA-N4-{[(2-chloro-3-nitroquinolin-4-yl)amino]methyl}tetrahydro-2H-thiopyran-4-ol

Database identifiers

PubChem CID
86616865

Properties

Computed structural properties

XLogP
3.9
Topological polar surface area
116 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
6
Rotatable bonds
3
Heavy atoms
23

Related reactions

4 records
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Compound notes

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