Molecule ID: 28284258

IUPAC Name: 2-[(4R)-4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl]quinoline-3-carboxylate

Description: The molecule is a monocarboxylic acid anion resulting from the deprotonation of the carboxy group of (R)-imazaquin. It is a conjugate base of a (R)-imazaquin. It is an enantiomer of a (S)-imazaquin(1-).

SMILES: CC(C)[C@@]1(C)NC(c2nc3ccccc3cc2C(=O)[O-])=NC1=O

SELFIES: [C][C][Branch1][C][C][C@@][Branch1][C][C][N][C][Branch2][Ring1][Ring2][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][#Branch2][C][=Branch1][C][=O][O-1][=N][C][Ring2][Ring1][Ring1][=O]

InChI: InChI=1S/C17H17N3O3/c1-9(2)17(3)16(23)19-14(20-17)13-11(15(21)22)8-10-6-4-5-7-12(10)18-13/h4-9H,1-3H3,(H,21,22)(H,19,20,23)/p-1/t17-/m1/s1

Molecular Properties:
- Polar Surface Area: 94.5 Ų
- LogP: 3.2