Quinapril

C25H30N2O5CAS 85441-61-8438.52 g/mol

Open in Covalent MOL file
OONHONOOH
AmideCarboxylic acidEsterSecondary amine

Properties

Molecular formula
C25H30N2O5
Molar mass
438.52 g/mol
Exact mass
438.2155 Da
Melting point
120–130 °C
logP
2.57Crippen estimate
Polar surface area
95.9 Ų
H-bond donors / acceptors
2 / 5
Rotatable bonds
9
Stereocentres
S, S, Sin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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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

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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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Quinapril hydrochloride82586-55-8Salt

Similar compounds

Moexipril103775-10-681 % similar Moexipril hydrochloride82586-52-579 % similar Enalapril75847-73-377 % similar Enalapril maleate76095-16-469 % 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

Same formula

Cyclohexyl 2,7,7-trimethyl-4-(4-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate313967-18-9

Elsewhere

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