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PQ-69

CAT: 0931-T28446-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T28446-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
910045-32-8
Target
Adenosine Receptor, Others
Related Pathways
GPCR/G Protein, Neuroscience, Others
Bioactivity
PQ-69 is a selective adenosine A1 receptor antagonist with inverse agonist activity.
Smiles
N(CCCC)C=1C2=C(C=3C(N1)=CC=CC3)NN(C2=O)C4=CC(F)=CC=C4
Molecular Formula
C20H19FN4O
Molecular Weight
350.39
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

4-(Butylamino)-2-(3-fluorophenyl)-1,2-dihydro-3H-pyrazolo[4,3-c]quinolin-3-one
CAS Number910045-32-8
PubChem CID121513859
IUPAC Name4-(butylamino)-2-(3-fluorophenyl)-1H-pyrazolo[4,3-c]quinolin-3-one
Molecular FormulaC20H19FN4O
Molecular Weight350.4
XLogP5.4
Topological Polar Surface Area57.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count26
Formal Charge0
Complexity504
SMILES
CCCCNC1=NC2=CC=CC=C2C3=C1C(=O)N(N3)C4=CC(=CC=C4)F
InChI
InChI=1S/C20H19FN4O/c1-2-3-11-22-19-17-18(15-9-4-5-10-16(15)23-19)24-25(20(17)26)14-8-6-7-13(21)12-14/h4-10,12,24H,2-3,11H2,1H3,(H,22,23)
InChIKey
FJRYQRBEISYVBB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-(Butylamino)-2-(3-fluorophenyl)-1,2-dihydro-3H-pyrazolo[4,3-c]quinolin-3-one
CAS: 910045-32-8
CID: 121513859
Formula: C20H19FN4O
MW: 350.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight350.4
XLogP35.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass350.15428940
Monoisotopic Mass350.15428940
Topological Polar Surface Area57.3 Ų
Heavy Atom Count26
Formal Charge0
Complexity504
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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