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2-Hydroxyquinoline

CAT: 0931-PDK0291Size: 200 mgDry Ice: NoHazardous: No
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CAT#:0931-PDK0291Size:200 mg
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CAS Number
59-31-4
Target
Glycosidase, Glucosidase, Amylase
Related Pathways
Metabolism
Bioactivity
Compound PDK0291, with CAS No. 59-31-4, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound PDK0291 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.
Smiles
O=C1NC2=CC=CC=C2C=C1
Molecular Formula
C9H7NO
Molecular Weight
145.15
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

2-Hydroxyquinoline

Quinolin-2-ol is a monohydroxyquinoline carrying a hydroxy substituent at position 2. It is an intermediate metabolite produced duting the microbial degradation of quinoline. It has a role as a bacterial xenobiotic metabolite. It is a tautomer of a quinolin-2(1H)-one.

CAS Number59-31-4
PubChem CID6038
IUPAC Name1H-quinolin-2-one
Molecular FormulaC9H7NO
Molecular Weight145.16
XLogP1.3
Topological Polar Surface Area29.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Heavy Atom Count11
Formal Charge0
Complexity198
SMILES
C1=CC=C2C(=C1)C=CC(=O)N2
InChI
InChI=1S/C9H7NO/c11-9-6-5-7-3-1-2-4-8(7)10-9/h1-6H,(H,10,11)
InChIKey
LISFMEBWQUVKPJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Hydroxyquinoline
CAS: 59-31-4
CID: 6038
Formula: C9H7NO
MW: 145.16
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight145.16
XLogP31.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass145.052763847
Monoisotopic Mass145.052763847
Topological Polar Surface Area29.1 Ų
Heavy Atom Count11
Formal Charge0
Complexity198
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