2,2'-((4-(4-(4-Quinolinylamino)phenoxy)phenyl)imino)bis-ethanol dihydrochloride
Basic information
- CAS
133041-48-2- Standard SMILES
Cl.Cl.OCCN(CCO)c1ccc(Oc2ccc(Nc3ccnc4ccccc34)cc2)cc1- InChIKey
MZCROBGYNBGECO-UHFFFAOYSA-N- Molecular formula
- C25H27Cl2N3O3
- Average molar mass
- 488.4 g/mol
- Monoisotopic mass
- 487.1429471
Names & identifiers
- Preferred name
- 2,2'-((4-(4-(4-Quinolinylamino)phenoxy)phenyl)imino)bis-ethanol dihydrochloride
- IUPAC
- 2-[N-(2-hydroxyethyl)-4-[4-(quinolin-4-ylamino)phenoxy]anilino]ethanol;dihydrochloride
Names & synonyms
2,2'-((4-(4-(4-Quinolinylamino)phenoxy)phenyl)imino)bis-ethanol dihydrochloride133041-48-2DTXSID501579172,2'-[(4-{4-[(Quinolin-4-yl)amino]phenoxy}phenyl)azanediyl]di(ethan-1-ol)--hydrogen chloride (1/2)
Database identifiers
- CAS
133041-48-2- PubChem CID
- 149647
- DTXSID
DTXSID50157917
Properties
Computed structural properties
- Topological polar surface area
- 77.9 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 500
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Compound notes
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