3-azanyl-6,7-dimethoxy-2-[4-(4-quinolin-2-ylpiperazin-1-yl)butyl]quinazolin-4-one

Systemtic Name: 3-azanyl-6,7-dimethoxy-2-[4-(4-quinolin-2-ylpiperazin-1-yl)butyl]quinazolin-4-one Openeye Name: 3-amino-6,7-dimethoxy-2-[4-[4-(2-quinolyl)piperazin-1-yl]butyl]quinazolin-4-one CAS Name: 3-amino-6,7-dimethoxy-2-[4-[4-(2-quinolinyl)-1-piperazinyl]butyl]-4-quinazolinone IUPAC Name: 3-amino-6,7-dimethoxy-2-[4-(4-quinolin-2-ylpiperazin-1-yl)butyl]quinazolin-4-one Traditional Name: 3-amino-6,7-dimethoxy-2-[4-[4-(2-quinolyl)piperazino]butyl]quinazolin-4-one Formula: C27H32N6O3 MolecularWeight: 488.58138

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=O)N(C(=N2)CCCCN3CCN(CC3)C4=NC5=CC=CC=C5C=C4)N)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=O)N(C(=N2)CCCCN3CCN(CC3)C4=NC5=CC=CC=C5C=C4)N)OC

InChI

InChI=1S/C27H32N6O3/c1-35-23-17-20-22(18-24(23)36-2)30-26(33(28)27(20)34)9-5-6-12-31-13-15-32(16-14-31)25-11-10-19-7-3-4-8-21(19)29-25/h3-4,7-8,10-11,17-18H,5-6,9,12-16,28H2,1-2H3