6-chloranyl-4-[[4-(4-methylpiperazin-1-yl)phenyl]amino]quinoline-3-carboxylic acid

Systemtic Name: 6-chloranyl-4-[[4-(4-methylpiperazin-1-yl)phenyl]amino]quinoline-3-carboxylic acid Openeye Name: 6-chloro-4-[4-(4-methylpiperazin-1-yl)anilino]quinoline-3-carboxylic acid CAS Name: 6-chloro-4-[4-(4-methyl-1-piperazinyl)anilino]-3-quinolinecarboxylic acid IUPAC Name: 6-chloro-4-[4-(4-methylpiperazin-1-yl)anilino]quinoline-3-carboxylic acid Traditional Name: 6-chloro-4-[4-(4-methylpiperazino)anilino]quinoline-3-carboxylic acid Formula: C21H21ClN4O2 MolecularWeight: 396.87004

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=CC=C(C=C2)NC3=C4C=C(C=CC4=NC=C3C(=O)O)Cl

Isomeric SMILES

CN1CCN(CC1)C2=CC=C(C=C2)NC3=C4C=C(C=CC4=NC=C3C(=O)O)Cl

InChI

InChI=1S/C21H21ClN4O2/c1-25-8-10-26(11-9-25)16-5-3-15(4-6-16)24-20-17-12-14(22)2-7-19(17)23-13-18(20)21(27)28/h2-7,12-13H,8-11H2,1H3,(H,23,24)(H,27,28)