Products for Research Use Only

HQ-415

CAT: 0013-GTR19203783-06Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19203783-06Size:100 mg
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Description
HQ-415 is a bioactive metal-chelating small molecule structurally related to clioquinol, exhibiting an EC50 of 15 μM. It serves as a research tool for studying metal biology and associated pathologies in cellular and animal models of neurodegenerative and oncological research.
CAS Number
430462-93-4
Smiles
CCOc1cc (ccc1OC) C (Nc1cc (C) ccn1) c1ccc2cccnc2c1O
Molecular Formula
C25H25N3O3
Molecular Weight
415.48
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

7-[(3-Ethoxy-4-methoxyphenyl)-[(4-methylpyridin-2-yl)amino]methyl]quinolin-8-ol
CAS Number430462-93-4
PubChem CID2907339
IUPAC Name7-[(3-ethoxy-4-methoxyphenyl)-[(4-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol
Molecular FormulaC25H25N3O3
Molecular Weight415.5
XLogP4.9
Topological Polar Surface Area76.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Heavy Atom Count31
Formal Charge0
Complexity550
SMILES
CCOC1=C(C=CC(=C1)C(C2=C(C3=C(C=CC=N3)C=C2)O)NC4=NC=CC(=C4)C)OC
InChI
InChI=1S/C25H25N3O3/c1-4-31-21-15-18(8-10-20(21)30-3)23(28-22-14-16(2)11-13-26-22)19-9-7-17-6-5-12-27-24(17)25(19)29/h5-15,23,29H,4H2,1-3H3,(H,26,28)
InChIKey
ZUOOFZJZQYFZQW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 7-[(3-Ethoxy-4-methoxyphenyl)-[(4-methylpyridin-2-yl)amino]methyl]quinolin-8-ol
CAS: 430462-93-4
CID: 2907339
Formula: C25H25N3O3
MW: 415.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight415.5
XLogP34.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Exact Mass415.18959167
Monoisotopic Mass415.18959167
Topological Polar Surface Area76.5 Ų
Heavy Atom Count31
Formal Charge0
Complexity550
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes