Molecule ID: 118796896

IUPAC Name: (3-bromophenyl)-(6,7-dimethoxyquinazolin-4-yl)azanium

Description: The molecule is an organic cation obtained by protonation of the secondary amino function of PD-153035. It is an ammonium ion derivative and an organic cation. It is a conjugate acid of a PD-153035.

SMILES: COc1cc2[nH+]cnc(Nc3cccc(Br)c3)c2cc1OC

SELFIES: [C][O][C][=C][C][=NH1+1][C][=N][C][Branch1][=N][N][C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1][=C][Ring1][=C][C][=C][Ring2][Ring1][C][O][C]

InChI: InChI=1S/C16H14BrN3O2/c1-21-14-7-12-13(8-15(14)22-2)18-9-19-16(12)20-11-5-3-4-10(17)6-11/h3-9H,1-2H3,(H,18,19,20)/p+1

Molecular Properties:
- Polar Surface Area: 60.8 Ų
- LogP: 4.0