Quinapril

C₂₅H₃₀N₂O₅CAS 85441-61-8438.52 g/mol

Open in Covalent MOL file

Amide Carboxylic acid Ester Secondary amine

Properties

Molecular formula: C₂₅H₃₀N₂O₅
Molar mass: 438.52 g/mol
Exact mass: 438.2155 Da
logP: 2.57Crippen estimate
Polar surface area: 95.9 Å²
H-bond donors / acceptors: 2 / 5
Rotatable bonds: 9
Stereocentres: S, S, Sin SMILES atom order

Identifiers

CAS number

85441-61-8

SMILES

CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)O

InChIKey

JSDRRTOADPPCHY-HSQYWUDLSA-N

InChI

InChI=1S/C25H30N2O5/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)/t17-,21-,22-/m0/s1

Weigh it out

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

Names and synonyms

5 names

3-Isoquinolinecarboxylic acid, 2-[(2S)-2-[[(1S)-1-(ethoxycarbonyl)-3-phenylpropyl]amino]-1-oxopropyl]-1,2,3,4-tetrahydro-, (3S)-
3-Isoquinolinecarboxylic acid, 2-[2-[[1-(ethoxycarbonyl)-3-phenylpropyl]amino]-1-oxopropyl]-1,2,3,4-tetrahydro-, [3S-[2[R*(R*)],3R*]]-
(3S)-2-[(2S)-2-[[(1S)-1-(Ethoxycarbonyl)-3-phenylpropyl]amino]-1-oxopropyl]-1,2,3,4-tetrahydro-3-isoquinolinecarboxylic acid
Ectren
Koretic

Work with Quinapril

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

Quinapril hydrochloride82586-55-895 % similar Moexipril103775-10-681 % similar Moexipril hydrochloride82586-52-579 % similar Enalapril75847-73-377 % similar N-[1(S)-Ethoxycarbonyl-3-phenylpropyl]-L-alanine82717-96-267 % similar Delapril hydrochloride83435-67-067 % similar Ramipril87333-19-565 % similar Trandolapril87679-37-665 % similar

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

Elsewhere

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