3-Butyryl-4-(4-hydroxy-2-methylphenylamino)-8-(hydroxymethyl)quinoline hydrochloride

HCID 19923014
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Basic information

Standard SMILES
CCCC(=O)c1cnc2c(CO)cccc2c1Nc1ccc(O)cc1C.Cl
InChIKey
VYVJZKXFRWGJTA-UHFFFAOYSA-N
Molecular formula
C21H23ClN2O3
Average molar mass
386.9 g/mol
Monoisotopic mass
386.1397203

Names & identifiers

Preferred name
3-Butyryl-4-(4-hydroxy-2-methylphenylamino)-8-(hydroxymethyl)quinoline hydrochloride
IUPAC
1-[8-(hydroxymethyl)-4-(4-hydroxy-2-methylanilino)quinolin-3-yl]butan-1-one;hydrochloride

Names & synonyms

SCHEMBL9265163VYVJZKXFRWGJTA-UHFFFAOYSA-N3-butyryl-4-(4-hydroxy-2-methylphenylamino)-8-(hydroxymethyl)quinoline hydrochloride

Database identifiers

PubChem CID
19923014

Properties

Computed structural properties

Topological polar surface area
82.5 Ų
Hydrogen bond donors
4
Hydrogen bond acceptors
5
Rotatable bonds
6
Heavy atoms
27

Related reactions

1 records
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Compound notes

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