6,7-dimethoxy-2-(morpholin-4-ium-4-ylmethyl)-3-(quinolin-2-ylmethyl)quinazolin-4-one

Systemtic Name: 6,7-dimethoxy-2-(morpholin-4-ium-4-ylmethyl)-3-(quinolin-2-ylmethyl)quinazolin-4-one Openeye Name: 6,7-dimethoxy-2-(morpholin-4-ium-4-ylmethyl)-3-(2-quinolylmethyl)quinazolin-4-one CAS Name: 6,7-dimethoxy-2-(4-morpholin-4-iumylmethyl)-3-(2-quinolinylmethyl)-4-quinazolinone IUPAC Name: 6,7-dimethoxy-2-(morpholin-4-ium-4-ylmethyl)-3-(quinolin-2-ylmethyl)quinazolin-4-one Traditional Name: 6,7-dimethoxy-2-(morpholin-4-ium-4-ylmethyl)-3-(2-quinolylmethyl)quinazolin-4-one Formula: C25H27N4O4+ MolecularWeight: 447.50628

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=O)N(C(=N2)C[NH+]3CCOCC3)CC4=NC5=CC=CC=C5C=C4)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=O)N(C(=N2)C[NH+]3CCOCC3)CC4=NC5=CC=CC=C5C=C4)OC

InChI

InChI=1S/C25H26N4O4/c1-31-22-13-19-21(14-23(22)32-2)27-24(16-28-9-11-33-12-10-28)29(25(19)30)15-18-8-7-17-5-3-4-6-20(17)26-18/h3-8,13-14H,9-12,15-16H2,1-2H3/p+1