chempirical

Quinapril hydrochloride

C25H31ClN2O5CAS 82586-55-8474.98 g/mol

Open in Covalent MOL file
OONHONOHOHCl
AmideCarboxylic acidEsterSecondary amine

Properties

Molecular formula
C25H31ClN2O5
Molar mass
474.98 g/mol
Exact mass
474.1921 Da
Melting point
120–130 °C
logP
2.99Crippen estimate
Polar surface area
95.9 Ų
H-bond donors / acceptors
2 / 5
Rotatable bonds
9
Stereocentres
S, S, Sin SMILES atom order

Identifiers

CAS number
82586-55-8
SMILES
CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)O.Cl
InChIKey
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

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

20 names · show all
  • 3-Isoquinolinecarboxylic acid, 2-[(2S)-2-[[(1S)-1-(ethoxycarbonyl)-3-phenylpropyl]amino]-1-oxopropyl]-1,2,3,4-tetrahydro-, hydrochloride (1:1), (3S)-
  • 3-Isoquinolinecarboxylic acid, 2-[2-[[1-(ethoxycarbonyl)-3-phenylpropyl]amino]-1-oxopropyl]-1,2,3,4-tetrahydro-, monohydrochloride, [3S-[2[R*(R*)],3R*]]-
  • 3-Isoquinolinecarboxylic acid, 2-[(2S)-2-[[(1S)-1-(ethoxycarbonyl)-3-phenylpropyl]amino]-1-oxopropyl]-1,2,3,4-tetrahydro-, monohydrochloride, (3S)-
  • CI 906
  • Accupril
  • Accuprin
  • Acupril
  • Korec
  • Asig
  • Accupro
  • Accupron
  • Acequin
  • Acuitel
  • Acuprel
  • Quinazil
  • Acequide
  • PD 109452-2
  • Korectic
  • Quinopril
  • Accupro 20

Work with Quinapril hydrochloride

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Quinapril85441-61-895 % similar Moexipril hydrochloride82586-52-583 % similar Moexipril103775-10-680 % similar Enalapril75847-73-374 % similar Delapril hydrochloride83435-67-071 % similar Imidapril hydrochloride89396-94-167 % similar N-[1(S)-Ethoxycarbonyl-3-phenylpropyl]-L-alanine82717-96-264 % similar Ramipril87333-19-563 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook