1-(cyclohexylamino)-4-hydroxy-3-(7-hydroxy-1,1-dioxido-4H-1,2,4-benzothiadiazin-3-yl)quinolin-2(1H)-one

HCID 136374271
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Basic information

Standard SMILES
O=c1c(C2=NS(=O)(=O)c3cc(O)ccc3N2)c(O)c2ccccc2n1NC1CCCCC1
InChIKey
PDDNLXMXSLGZMI-UHFFFAOYSA-N
Molecular formula
C22H22N4O5S
Average molar mass
454.5 g/mol

Names & identifiers

Preferred name
1-(cyclohexylamino)-4-hydroxy-3-(7-hydroxy-1,1-dioxido-4H-1,2,4-benzothiadiazin-3-yl)quinolin-2(1H)-one
IUPAC
1-(cyclohexylamino)-4-hydroxy-3-(7-hydroxy-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)quinolin-2-one

Names & synonyms

SCHEMBL1523953PDDNLXMXSLGZMI-UHFFFAOYSA-N1-(cyclohexylamino)-4-hydroxy-3-(7-hydroxy-1,1-dioxido-4H-1,2,4-benzothiadiazin-3-yl)quinolin-2(1H)-one

Database identifiers

PubChem CID
136374271

Properties

Computed structural properties

XLogP
2.4
Topological polar surface area
140 Ų
Hydrogen bond donors
4
Hydrogen bond acceptors
7
Rotatable bonds
3
Heavy atoms
32

Related reactions

4 records
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Compound notes

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