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NEt-iFQ

CAT: 0931-T86995-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T86995-02Size:50 mg
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CAS Number
1251538-60-9
Target
Retinoid Receptor
Related Pathways
Metabolism
Bioactivity
NEt-iFQ, a fluorescent retinoid X receptor (RXR) agonist with potent solvatochromic properties, selectively binds to RXR-LBP and fluoresces [1].
Smiles
C(C(C)C)N1C=2C(C(C(F)(F)F)=CC1=O)=CC=C(N(CC)C3=CC=C(C(O)=O)C=N3)C2
Molecular Formula
C22H22F3N3O3
Molecular Weight
433.42
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

NEt-iFQ
CAS Number1251538-60-9
PubChem CID91410755
IUPAC Name6-[ethyl-[1-(2-methylpropyl)-2-oxo-4-(trifluoromethyl)quinolin-7-yl]amino]pyridine-3-carboxylic acid
Molecular FormulaC22H22F3N3O3
Molecular Weight433.4
XLogP4.1
Topological Polar Surface Area73.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Heavy Atom Count31
Formal Charge0
Complexity710
SMILES
CCN(C1=CC2=C(C=C1)C(=CC(=O)N2CC(C)C)C(F)(F)F)C3=NC=C(C=C3)C(=O)O
InChI
InChI=1S/C22H22F3N3O3/c1-4-27(19-8-5-14(11-26-19)21(30)31)15-6-7-16-17(22(23,24)25)10-20(29)28(12-13(2)3)18(16)9-15/h5-11,13H,4,12H2,1-3H3,(H,30,31)
InChIKey
UAQFYZKWYQRQSW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of NEt-iFQ
CAS: 1251538-60-9
CID: 91410755
Formula: C22H22F3N3O3
MW: 433.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight433.4
XLogP34.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Exact Mass433.16132606
Monoisotopic Mass433.16132606
Topological Polar Surface Area73.7 Ų
Heavy Atom Count31
Formal Charge0
Complexity710
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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