1-[4-[(2-methylphenyl)amino]-8-(3-morpholin-4-ylpropoxy)quinolin-3-yl]butan-1-one

Systemtic Name: 1-[4-[(2-methylphenyl)amino]-8-(3-morpholin-4-ylpropoxy)quinolin-3-yl]butan-1-one Openeye Name: 1-[4-(2-methylanilino)-8-(3-morpholinopropoxy)-3-quinolyl]butan-1-one CAS Name: 1-[4-(2-methylanilino)-8-[3-(4-morpholinyl)propoxy]-3-quinolinyl]-1-butanone IUPAC Name: 1-[4-(2-methylanilino)-8-(3-morpholin-4-ylpropoxy)quinolin-3-yl]butan-1-one Traditional Name: 1-[8-(3-morpholinopropoxy)-4-(o-toluidino)-3-quinolyl]butan-1-one Formula: C27H33N3O3 MolecularWeight: 447.56922

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1=CN=C2C(=C1NC3=CC=CC=C3C)C=CC=C2OCCCN4CCOCC4

Isomeric SMILES

CCCC(=O)C1=CN=C2C(=C1NC3=CC=CC=C3C)C=CC=C2OCCCN4CCOCC4

InChI

InChI=1S/C27H33N3O3/c1-3-8-24(31)22-19-28-27-21(26(22)29-23-11-5-4-9-20(23)2)10-6-12-25(27)33-16-7-13-30-14-17-32-18-15-30/h4-6,9-12,19H,3,7-8,13-18H2,1-2H3,(H,28,29)