2-[2-(dimethylamino)pyrimidin-5-yl]-N-[(3S)-1-methylpiperidin-3-yl]quinoline-4-carboxamide

Systemtic Name: 2-[2-(dimethylamino)pyrimidin-5-yl]-N-[(3S)-1-methylpiperidin-3-yl]quinoline-4-carboxamide Openeye Name: 2-[2-(dimethylamino)pyrimidin-5-yl]-N-[(3S)-1-methyl-3-piperidyl]quinoline-4-carboxamide CAS Name: 2-[2-(dimethylamino)-5-pyrimidinyl]-N-[(3S)-1-methyl-3-piperidinyl]-4-quinolinecarboxamide IUPAC Name: 2-[2-(dimethylamino)pyrimidin-5-yl]-N-[(3S)-1-methylpiperidin-3-yl]quinoline-4-carboxamide Traditional Name: 2-[2-(dimethylamino)pyrimidin-5-yl]-N-[(3S)-1-methyl-3-piperidyl]cinchoninamide Formula: C22H26N6O MolecularWeight: 390.48144

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCC(C1)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CN=C(N=C4)N(C)C

Isomeric SMILES

CN1CCC[C@@H](C1)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CN=C(N=C4)N(C)C

InChI

InChI=1S/C22H26N6O/c1-27(2)22-23-12-15(13-24-22)20-11-18(17-8-4-5-9-19(17)26-20)21(29)25-16-7-6-10-28(3)14-16/h4-5,8-9,11-13,16H,6-7,10,14H2,1-3H3,(H,25,29)/t16-/m0/s1