Responsive image

Common name


Quinapril

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

SMILES


CCOC(=O)[C@H](CCC1=CC=CC=C1)N[C@@H](C)C(=O)N1CC2=CC=CC=C2C[C@H]1C(O)=O

Compound class


Angiotensin-Converting Enzyme Inhibitors; Antihypertensive Agents; Cardiovascular System; Agents Acting on the Renin-Angiotensin System; ACE Inhibitors, Plain; ACE Inhibitors and Diuretics;

Therapeutic area


For the treatment of hypertension and as adjunct therapy in the treatment of congestive heart failure. May also be used to slow the rate of progression of renal disease in hypertensive individuals with diabetes mellitus and microalbuminuria or overt nephropathy.

Common name


Quinapril

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

SMILES


CCOC(=O)[C@H](CCC1=CC=CC=C1)N[C@@H](C)C(=O)N1CC2=CC=CC=C2C[C@H]1C(O)=O

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

FORMULA


C25H30N2O5

Responsive image

Common name


Quinapril

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

Molecular weight


438.516

clogP


3.387

clogS


-4.524

HBond Acceptor


5

HBond Donor


2

Total Polar
Surface Area


95.94

Number of Rings


3

Rotatable Bond


11

Drug ID Common name Structure CAS SMILE Frequency
FDBF00007 propane Responsive image C(C)C 0.2412
FDBF00025 propan-1-amine Responsive image CCCN 0.0292
FDBF00040 ethanamine Responsive image CCN 0.0677
FDBF00073 N-ethylpropan-1-amine Responsive image N(CCC)CC 0.0086
FDBF00100 ethyl formate Responsive image O(C=O)CC 0.0244
FDBF00190 ethyl propanoate Responsive image C(C)C(=O)OCC 0.0086
FDBF00192 ethyl (2S)-2-aminopropanoate Responsive image C(C)(N)C(=O)OCC 0.0031
FDBF00193 propylbenzene Responsive image C(c1ccccc1)CC 0.0186
FDBF00194 3-phenylpropan-1-amine Responsive image C(c1ccccc1)CCN 0.0052
FDBF01609 (3S)-2-formyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Responsive image O=CN1C(Cc2c(cccc2)C1)C(=O)O 0.0007
18 , 2