4-[[4-(4-methylpiperazin-1-yl)phenyl]amino]-8-morpholin-4-yl-quinoline-3-carboxylic acid

Systemtic Name: 4-[[4-(4-methylpiperazin-1-yl)phenyl]amino]-8-morpholin-4-yl-quinoline-3-carboxylic acid Openeye Name: 4-[4-(4-methylpiperazin-1-yl)anilino]-8-morpholino-quinoline-3-carboxylic acid CAS Name: 4-[4-(4-methyl-1-piperazinyl)anilino]-8-(4-morpholinyl)-3-quinolinecarboxylic acid IUPAC Name: 4-[4-(4-methylpiperazin-1-yl)anilino]-8-morpholin-4-ylquinoline-3-carboxylic acid Traditional Name: 4-[4-(4-methylpiperazino)anilino]-8-morpholino-quinoline-3-carboxylic acid Formula: C25H29N5O3 MolecularWeight: 447.52946

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=CC=C(C=C2)NC3=C4C=CC=C(C4=NC=C3C(=O)O)N5CCOCC5

Isomeric SMILES

CN1CCN(CC1)C2=CC=C(C=C2)NC3=C4C=CC=C(C4=NC=C3C(=O)O)N5CCOCC5

InChI

InChI=1S/C25H29N5O3/c1-28-9-11-29(12-10-28)19-7-5-18(6-8-19)27-23-20-3-2-4-22(30-13-15-33-16-14-30)24(20)26-17-21(23)25(31)32/h2-8,17H,9-16H2,1H3,(H,26,27)(H,31,32)