Molecule ID: 24755554

IUPAC Name: 2-[(2,6-dichlorobenzoyl)amino]-3-(2-phenoxyquinolin-6-yl)propanoic acid

Description: The molecule is an N-acyl amino acid that is alanine substituted by a 2,6-dichlorobenzoyl group at the N and a 2-phenoxy-6-quinolyl group at position 3. It is a member of quinolines, a dichlorobenzene, a non-proteinogenic amino acid derivative, an aromatic ether and a N-acyl-amino acid. It contains a 2,6-dichlorobenzoyl group.

SMILES: O=C(O)C(Cc1ccc2nc(Oc3ccccc3)ccc2c1)N=C(O)c1c(Cl)cccc1Cl

SELFIES: [O][=C][Branch1][C][O][C][Branch2][Ring1][O][C][C][=C][C][=C][N][=C][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][Ring1][=N][=C][Ring1][P][N][=C][Branch1][C][O][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][Cl]

InChI: InChI=1S/C25H18Cl2N2O4/c26-18-7-4-8-19(27)23(18)24(30)29-21(25(31)32)14-15-9-11-20-16(13-15)10-12-22(28-20)33-17-5-2-1-3-6-17/h1-13,21H,14H2,(H,29,30)(H,31,32)

Molecular Properties:
- Polar Surface Area: 88.5 Ų
- LogP: 6.2