2-[3-(4-propylpiperazin-1-yl)propylamino]quinoline-4-carboxylic acid

Systemtic Name: 2-[3-(4-propylpiperazin-1-yl)propylamino]quinoline-4-carboxylic acid Openeye Name: 2-[3-(4-propylpiperazin-1-yl)propylamino]quinoline-4-carboxylic acid CAS Name: 2-[3-(4-propyl-1-piperazinyl)propylamino]-4-quinolinecarboxylic acid IUPAC Name: 2-[3-(4-propylpiperazin-1-yl)propylamino]quinoline-4-carboxylic acid Traditional Name: 2-[3-(4-propylpiperazino)propylamino]cinchoninic acid Formula: C20H28N4O2 MolecularWeight: 356.46192

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1CCN(CC1)CCCNC2=NC3=CC=CC=C3C(=C2)C(=O)O

Isomeric SMILES

CCCN1CCN(CC1)CCCNC2=NC3=CC=CC=C3C(=C2)C(=O)O

InChI

InChI=1S/C20H28N4O2/c1-2-9-23-11-13-24(14-12-23)10-5-8-21-19-15-17(20(25)26)16-6-3-4-7-18(16)22-19/h3-4,6-7,15H,2,5,8-14H2,1H3,(H,21,22)(H,25,26)