Molecule ID: 2227970

IUPAC Name: 2-N-(3-chloro-4-methylphenyl)quinazoline-2,4-diamine

Description: The molecule is a member of the class of quinazolines that is quinazoline-2,4-diamine in which one of the hydrogens attached to the amino group at position 2 is replaced by a 3-chloro-4-methylphenyl group. It has been found to stimulate the immune defences of the nematode Caenorhabditis elegans, so affording protection from bacterial infection. It has a role as an immunomodulator. It is a member of quinazolines, a primary amino compound, a secondary amino compound, a substituted aniline and a member of monochlorobenzenes.

SMILES: Cc1ccc(N=c2[nH]c(=N)c3ccccc3[nH]2)cc1Cl

SELFIES: [C][C][=C][C][=C][Branch2][Ring1][Ring1][N][=C][NH1][C][=Branch1][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][O][C][=C][Ring2][Ring1][C][Cl]

InChI: InChI=1S/C15H13ClN4/c1-9-6-7-10(8-12(9)16)18-15-19-13-5-3-2-4-11(13)14(17)20-15/h2-8H,1H3,(H3,17,18,19,20)

Molecular Properties:
- Polar Surface Area: 63.8 Ų
- LogP: 4.2