Compound: IMAZAQUIN
SMILES: O=C1NC(c2nc3c(cccc3)cc2C(=O)O)=NC1(C(C)C)C
InChIKey: CABMTIJINOIHOD-UHFFFAOYSA-N
Synonyms: IMAZAQUIN, 81335-37-7, Scepter Herbicide, Imazaquine, Scepter, AC 252214, 8LZY7C31XA, 2-(5-Isopropyl-5-methyl-4-oxo-2-imidazolin-2-yl)-3-quinolinecarboxylic acid, 3-Quinolinecarboxylic acid, 2-(4,5-dihydro-4-methyl-4-(1-methylethyl)-5-oxo-1H-imidazol-2-yl)-, DTXSID3024152, 2-(4,5-Dihydro-4-methyl-4-(1-methylethyl)-5-oxo-1H-imidazol-2-yl)-3-quinolinecarboxylic acid, IMAGE (PESTICIDE), 2-(4-isopropyl-4-methyl-5-oxo-1H-imidazol-2-yl)quinoline-3-carboxylic acid, CHEBI:5869, DTXCID904152, 2-(4-Isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)quinoline-3-carboxylic acid, 2-[4,5-dihydro-4-methyl-4-(1-methylethyl)-5-oxo-1h-imidazol-2-yl]-3-quinolinecarboxylic acid, 3-Quinolinecarboxylic acid, 2-[4,5-dihydro-4-methyl-4-(1-methylethyl)-5-oxo-1H-imidazol-2-yl]-, RefChem:923327, 617-220-3, Caswell No. 003C, Imazaquin [BSI:ISO], Imazaquine [ISO-French], 2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)quinoline-3-carboxylic acid, Imazaquin acid, 2-[4-methyl-5-oxo-4-(propan-2-yl)-4,5-dihydro-1H-imidazol-2-yl]quinoline-3-carboxylic acid, MFCD00778521, Image, 2-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-3-quinolinecarboxylic acid, 2-(4-Isopropyl-4-methyl-5-oxo-4,5-dihydro-1H-imidazol-2-yl)-3-quinolinecarboxylic acid, CAS-81335-37-7, HSDB 6677, 2-(4-ISOPROPYL-4-METHYL-5-OXO-4,5-DIHYDRO-1H-IMIDAZOL-2-YL)QUINOLINE-3-CARBOXYLIC ACID, UNII-8LZY7C31XA, EPA Pesticide Chemical Code 128840, BRN 5450078, Toneup, (+/-)-Imazaquin, IMAZAQUIN [ISO], IMAZAQUIN [MI], IMAZAQUINE [HSDB], SCHEMBL18804, MLS000080369, orb1707187, orb3025457, SCHEMBL6642906, CHEMBL1447880, SCHEMBL29433233, CHEBI:147361, HMS2336H03, MSK22209, Tox21_202008, Tox21_300796, BBL010099, BDBM50486241, STK711163, AKOS004910001, AKOS040741872, CS-W020929, HY-W040189, NCGC00065519-02, NCGC00065519-03, NCGC00065519-04, NCGC00065519-05, NCGC00163758-01, NCGC00163758-02, NCGC00254700-01, NCGC00259557-01, DA-74446, SMR000059314, VS-02316, NS00009683, Imazaquin, PESTANAL(R), analytical standard, C05076, H58005, Q15303948, 2-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)3-quinolinecarboxylic acid, 2-(4-Isopropyl-4-methyl-5-oxo-4,5-dihydro-1H-imidazol-2-yl)-quinoline-3-carboxylic acid, 2-[(RS)-4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl]quinoline-3-carboxylic acid, 2-[4,5-Dihydro-4-methyl-4-(1-methylethyl)-5-oxo-1H-imidazol-2-yl]-3-quinolinecarboxylicacid
Theoretical properties:
molecular_formula: C17H17N3O3
molecular_weight: 311.33 g/mol
exact_mass: 311.12699141 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 2
hydrogen_bond_acceptor_count: 5
rotatable_bond_count: 3
heavy_atom_count: 23
topological_polar_surface_area: 91.7 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
physical_state: Colorless solid
color: Colorless solid
odor: Slightly pungent
melting_point: 219-222 °C (decomposition)
solubility: Sol in water /Imazaquin ammonium salt/
vapor_pressure: <0.013 mPa @ 60 °C
Descriptions:
pubchem: 2-[4-methyl-5-oxo-4-(propan-2-yl)-4,5-dihydro-1H-imidazol-2-yl]quinoline-3-carboxylic acid is a quinolinemonocarboxylic acid that is quinoline-3-carboxylic acid which is substituted by a 4-methyl-5-oxo-4-(propan-2-yl)-4,5-dihydro-1H-imidazol-2-yl group at position 2. It is an imidazolone, a monocarboxylic acid and a quinolinemonocarboxylic acid.
chebi: A quinolinemonocarboxylic acid that is quinoline-3-carboxylic acid which is substituted by a 4-methyl-5-oxo-4-(propan-2-yl)-4,5-dihydro-1<em>H</em>-imidazol-2-yl group at position 2.
chembl: IMAZAQUIN is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: Imazaquin is an imidazolinone herbicide, so named because it contains an imidazolinone core. This organic compound is used to control a broad spectrum of weed species. It is a colorless or white solid, although commercial samples can appear brown or tan.