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HHQ

CAT: 0931-T19713-08Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T19713-08Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
40522-46-1
Target
Others
Related Pathways
Others
Purity
0.9988
Bioactivity
HHQ (2-heptylquinolin-4 (1H) -one) is a PqsR antagonist.
Smiles
CCCCCCCc1cc(=O)c2ccccc2[nH]1
Molecular Formula
C16H21NO
Molecular Weight
243.34
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

2-Heptyl-4-hydroxyquinoline

2-heptyl-4-quinolone is a quinolone consisting of quinolin-4(1H)-one carrying a heptyl substituent at position 2. It has a role as a metabolite, an antibacterial agent, an iron chelator and a signalling molecule. It is a tautomer of a 2-heptyl-4-hydroxyquinoline.

CAS Number40522-46-1
PubChem CID164974
IUPAC Name2-heptyl-1H-quinolin-4-one
Molecular FormulaC16H21NO
Molecular Weight243.34
XLogP4.9
Topological Polar Surface Area29.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count6
Heavy Atom Count18
Formal Charge0
Complexity308
SMILES
CCCCCCCC1=CC(=O)C2=CC=CC=C2N1
InChI
InChI=1S/C16H21NO/c1-2-3-4-5-6-9-13-12-16(18)14-10-7-8-11-15(14)17-13/h7-8,10-12H,2-6,9H2,1H3,(H,17,18)
InChIKey
UYRHHBXYXSYGHA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Heptyl-4-hydroxyquinoline
CAS: 40522-46-1
CID: 164974
Formula: C16H21NO
MW: 243.34
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight243.34
XLogP34.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count6
Exact Mass243.162314293
Monoisotopic Mass243.162314293
Topological Polar Surface Area29.1 Ų
Heavy Atom Count18
Formal Charge0
Complexity308
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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