2-(3-azanylpropylamino)quinoline-4-carboxylic acid

Systemtic Name: 2-(3-azanylpropylamino)quinoline-4-carboxylic acid Openeye Name: 2-(3-aminopropylamino)quinoline-4-carboxylic acid CAS Name: 2-(3-aminopropylamino)-4-quinolinecarboxylic acid IUPAC Name: 2-(3-aminopropylamino)quinoline-4-carboxylic acid Traditional Name: 2-(3-aminopropylamino)cinchoninic acid Formula: C13H15N3O2 MolecularWeight: 245.2771

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=N2)NCCCN)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=N2)NCCCN)C(=O)O

InChI

InChI=1S/C13H15N3O2/c14-6-3-7-15-12-8-10(13(17)18)9-4-1-2-5-11(9)16-12/h1-2,4-5,8H,3,6-7,14H2,(H,15,16)(H,17,18)