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2,6-Dimethyl-4-quinolinol

CAT: 0013-GTR19254087-01Size: 200 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19254087-01Size:200 mg
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Description
2,6-Dimethyl-4-quinolinol , with CAS No. 15644-82-3, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. 2,6-Dimethyl-4-quinolinol provides a structural basis and research tool for the design and screening of novel drug candidates, and is commonly used in drug discovery, drug synthesis, and related research.
CAS Number
15644-82-3
Smiles
Cc1ccc2nc (C) cc (O) c2c1
Molecular Formula
C11H11NO
Molecular Weight
173.2111
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

4-Hydroxy-2,6-dimethylquinoline
CAS Number15644-82-3
PubChem CID284004
IUPAC Name2,6-dimethyl-1H-quinolin-4-one
Molecular FormulaC11H11NO
Molecular Weight173.21
XLogP2.3
Topological Polar Surface Area29.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count13
Formal Charge0
Complexity257
SMILES
CC1=CC2=C(C=C1)NC(=CC2=O)C
InChI
InChI=1S/C11H11NO/c1-7-3-4-10-9(5-7)11(13)6-8(2)12-10/h3-6H,1-2H3,(H,12,13)
InChIKey
LSWRRPBOJDRHSV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Hydroxy-2,6-dimethylquinoline
CAS: 15644-82-3
CID: 284004
Formula: C11H11NO
MW: 173.21
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight173.21
XLogP32.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass173.084063974
Monoisotopic Mass173.084063974
Topological Polar Surface Area29.1 Ų
Heavy Atom Count13
Formal Charge0
Complexity257
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
sc-2914556,7-Dimethyl-4-quinolinol
sc-2914846,8-Dimethyl-4-quinolinol
sc-2914766,8-Dimethyl-2-phenyl-4-quinolinol
sc-2914776,8-Dimethyl-2-propyl-4-quinolinol
sc-2916938-Chloro-2,6-dimethyl-4-quinolinol
sc-291267A6-Chloro-2,8-dimethyl-4-quinolinol
sc-2996134,8-Dimethyl-2-quinolinol
sc-288550A2,8-Dimethyl-4-quinolinol
sc-291479A6,8-Dimethyl-3-phenyl-2-quinolinol
sc-2914536,7-Dimethyl-3-phenyl-2-quinolinol

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