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Imazaquin

CAT: 0024-sc-250144Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-250144Size:100 mg
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CAS Number
81335-37-7

Chemical Information

Imazaquin

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.

CAS Number81335-37-7
PubChem CID54739
IUPAC Name2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)quinoline-3-carboxylic acid
Molecular FormulaC17H17N3O3
Molecular Weight311.33
XLogP2.5
Topological Polar Surface Area91.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count23
Formal Charge0
Complexity545
SMILES
CC(C)C1(C(=O)NC(=N1)C2=NC3=CC=CC=C3C=C2C(=O)O)C
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)
InChIKey
CABMTIJINOIHOD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Imazaquin
CAS: 81335-37-7
CID: 54739
Formula: C17H17N3O3
MW: 311.33
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight311.33
XLogP32.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass311.12699141
Monoisotopic Mass311.12699141
Topological Polar Surface Area91.7 Ų
Heavy Atom Count23
Formal Charge0
Complexity545
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
452226-01Imazaquin
T32145Imazaquin-methyl
DAG-WT834BImazaquin [BSA]
HY-W040189RImazaquin (Standard)
DAG-WT834OImazaquin [OVA]
CABT-ZB067Mouse Anti-Imazaquin monoclonal antibody, clone IMQ

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