Quinapril HydrochlorideProduct ingredient forQuinapril

Show full entry for Quinapril
Name
Quinapril Hydrochloride
Drug Entry
Quinapril

Quinapril is the ethyl ester prodrug of the non-sulfhydryl angiotensin converting enzyme inhibitor quinaprilat.6,7It is used to treat hypertension and heart failure.6,7ACE inhibitors are commonly used as a first line therapy in the treatment of hypertension, along with thiazide diuretics or beta blockers.5

Quinapril was granted FDA approval on 19 November 1991.6A combination tablet withhydrochlorothiazidewas also approved on 28 December 1999.7

See full entry for Quinapril
Accession Number
DBSALT000465
Structure
MOL SDF PDB SMILES InChI
Similar Structures
Synonyms
Quinapril HCl
External IDs
CI 906/CI-906
UNII
33067B3N2M
CAS Number
82586-55-8
Weight
Average: 474.977
Monoisotopic: 474.192149819
Chemical Formula
C25H31ClN2O5
InChI Key
IBBLRJGOOANPTQ-JKVLGAQCSA-N
InChI
InChI=1S/C25H30N2O5.ClH/c1-3-32-25(31)21(14-13-18-9-5-4-6-10-18)26-17(2)23(28)27-16-20-12-8-7-11-19(20)15-22(27)24(29)30;/h4-12,17,21-22,26H,3,13-16H2,1-2H3,(H,29,30);1H/t17-,21-,22-;/m0./s1
IUPAC Name
(3S)-2-[(2S)-2-{[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino}propanoyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid hydrochloride
SMILES
Cl.[H][C@@](C)(N[C@@]([H])(CCC1=CC=CC=C1)C(=O)OCC)C(=O)N1CC2=CC=CC=C2C[C@@]1([H])C(O)=O
KEGG Compound
C07340
PubChem Compound
54891
ChemSpider
49564
ChEBI
8714
ChEMBL
CHEMBL1201011
Wikipedia
Quinapril
Predicted Properties
Property Value Source
Water Solubility 0.0085 mg/mL ALOGPS
logP 1.4 ALOGPS
logP 1.96 Chemaxon
logS -4.7 ALOGPS
pKa (Strongest Acidic) 3.7 Chemaxon
pKa (Strongest Basic) 5.2 Chemaxon
Physiological Charge -1 Chemaxon
Hydrogen Acceptor Count 5 Chemaxon
Hydrogen Donor Count 2 Chemaxon
Polar Surface Area 95.94 Å2 Chemaxon
Rotatable Bond Count 10 Chemaxon
Refractivity 119.96 m3·mol-1 Chemaxon
Polarizability 47.33 Å3 Chemaxon
Number of Rings 3 Chemaxon
Bioavailability 1 Chemaxon
Rule of Five Yes Chemaxon
Ghose Filter Yes Chemaxon
Veber's Rule No Chemaxon
MDDR-like规则 Yes Chemaxon