Basic information
- CAS
430462-93-4- Standard SMILES
CCOc1cc(C(Nc2cc(C)ccn2)c2ccc3cccnc3c2O)ccc1OC- InChIKey
ZUOOFZJZQYFZQW-UHFFFAOYSA-N- Molecular formula
- C25H25N3O3
- Average molar mass
- 415.5 g/mol
- Monoisotopic mass
- 415.18959167
Names & identifiers
- Preferred name
- 7-[(3-Ethoxy-4-methoxyphenyl)-[(4-methylpyridin-2-yl)amino]methyl]quinolin-8-ol
- IUPAC
- 7-[(3-ethoxy-4-methoxyphenyl)-[(4-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol
- English name
- HQ-415
- Molecular formula
- C25H25N3O3
- Molecular weight
- 415.48
Names & synonyms
HQ-415430462-93-47-[(3-ethoxy-4-methoxyphenyl)-[(4-methylpyridin-2-yl)amino]methyl]quinolin-8-ol7-{(3-ethoxy-4-methoxyphenyl)[(4-methylpyridin-2-yl)amino]methyl}quinolin-8-olorb1707206SCHEMBL2153404CHEMBL1397952SCHEMBL29632645HMS1803A09CCG-63058MFCD02376369STK509332
Show more names
CS-2051HQ 415,HQ4158-Quinolinol, 7-[(3-ethoxy-4-methoxyphenyl)[(4-methyl-2-pyridinyl)amino]methyl]-
AKOS000356066AKOS025244844CS-4930HQ-415?NCGC00101025-01NCGC00101025-02DA-54093HY-18670
Database identifiers
- CAS
430462-93-4- PubChem CID
- 2907339
- ChEMBL
CHEMBL1397952
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 76.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 550
Physicochemical properties
- Boiling point
- 614.9 · 614.9±55.0 °C(Predicted)
- Density
- 1.246 · 1.246±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · Store at -20°C
- solubility
- 5.6 mg/mL · DMSO : 5.6 mg/mL (13.48 mM)
- form
- Solid
- pka
- 4.13 · 4.13±0.50(Predicted)
- color
- White to off-white
Chemistry & industry
Applications
UsesHQ-415 is a biologically active metal chelator related to Clioquinol (HY-14603), with an EC50 of 15 μM.
Suppliers12 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
MedChemexpress LLC021-58955995 · [email protected]
BOC Sciences1-631-485-4226; 16314854226 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
Cckinase, Inc.+1 (732)236-3202 · [email protected]
Musechem+1-800-259-7612 · [email protected]
TargetMol中国（陶术生物）4008200310 15002144251 · [email protected]
ChemeGen 中国18818260767 · [email protected]
上海皓元医药股份有限公司021-58950125 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
上海弘渠生物医药科技有限公司88888888888 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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