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

Systemtic Name: 1-[4-[(2-methylphenyl)amino]-8-(3-morpholin-4-ylpropylamino)quinolin-3-yl]butan-1-one Openeye Name: 1-[4-(2-methylanilino)-8-(3-morpholinopropylamino)-3-quinolyl]butan-1-one CAS Name: 1-[4-(2-methylanilino)-8-[3-(4-morpholinyl)propylamino]-3-quinolinyl]-1-butanone IUPAC Name: 1-[4-(2-methylanilino)-8-(3-morpholin-4-ylpropylamino)quinolin-3-yl]butan-1-one Traditional Name: 1-[8-(3-morpholinopropylamino)-4-(o-toluidino)-3-quinolyl]butan-1-one Formula: C27H34N4O2 MolecularWeight: 446.58446

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1=CN=C2C(=C1NC3=CC=CC=C3C)C=CC=C2NCCCN4CCOCC4

Isomeric SMILES

CCCC(=O)C1=CN=C2C(=C1NC3=CC=CC=C3C)C=CC=C2NCCCN4CCOCC4

InChI

InChI=1S/C27H34N4O2/c1-3-8-25(32)22-19-29-27-21(26(22)30-23-11-5-4-9-20(23)2)10-6-12-24(27)28-13-7-14-31-15-17-33-18-16-31/h4-6,9-12,19,28H,3,7-8,13-18H2,1-2H3,(H,29,30)