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CHEMBL241987

CAT: 0931-T8598-06Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T8598-06Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
109740-09-2
Target
Adenosine Receptor
Related Pathways
Neuroscience, GPCR/G Protein
Purity
0.9998
Bioactivity
CHEMBL241987 targets the Adenosine receptor A3 (human)
Smiles
O=C1NC=2C=CC=CC2C3=CN(N=C13)C=4C=CC=CC4
Molecular Formula
C16H11N3O
Molecular Weight
261.28
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

2-phenyl-2H,4H,5H-pyrazolo(3,4-c)quinolin-4-one
CAS Number109740-09-2
PubChem CID4962866
IUPAC Name2-phenyl-5H-pyrazolo[3,4-c]quinolin-4-one
Molecular FormulaC16H11N3O
Molecular Weight261.28
XLogP2.8
Topological Polar Surface Area46.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count20
Formal Charge0
Complexity380
SMILES
C1=CC=C(C=C1)N2C=C3C4=CC=CC=C4NC(=O)C3=N2
InChI
InChI=1S/C16H11N3O/c20-16-15-13(12-8-4-5-9-14(12)17-16)10-19(18-15)11-6-2-1-3-7-11/h1-10H,(H,17,20)
InChIKey
ISMLHIIGSRUCOQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-phenyl-2H,4H,5H-pyrazolo(3,4-c)quinolin-4-one
CAS: 109740-09-2
CID: 4962866
Formula: C16H11N3O
MW: 261.28
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight261.28
XLogP32.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass261.090211983
Monoisotopic Mass261.090211983
Topological Polar Surface Area46.9 Ų
Heavy Atom Count20
Formal Charge0
Complexity380
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

Alternative Products

CatalogName
MBS5759383CHEMBL241987

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