Basic information
- CAS
5427-58-7- Standard SMILES
CCCCN(CCCC)Cc1cc(Nc2ccnc3cc(Cl)ccc23)ccc1O.Cl- InChIKey
DWVWLXMHPSALFO-UHFFFAOYSA-N- Molecular formula
- C24H31Cl2N3O
- Average molar mass
- 448.4 g/mol
- Monoisotopic mass
- 447.184418
Names & identifiers
- Preferred name
- 4-[(7-Chloro-4-quinolyl)amino]-2-[(dibutylamino)methyl]phenol
- IUPAC
- 4-[(7-chloroquinolin-4-yl)amino]-2-[(dibutylamino)methyl]phenol;hydrochloride
Names & synonyms
TCMDC-1422795427-58-7CHEMBL527314DTXSID603326924-[(7-chloro-4-quinolyl)amino]-2-[(dibutylamino)methyl]phenolNSC13055NSC-130554-(7-Chloro-4-quinolylamino)-alpha-dibutylamino-o-cresol, dihydrochloride4-[(7-Chloroquinolin-4-yl)amino]-2-[(dibutylamino)methyl]phenol--hydrogen chloride (1/1)
Database identifiers
- CAS
5427-58-7- PubChem CID
- 459702
- DTXSID
DTXSID60332692- ChEMBL
CHEMBL527314
Properties
Computed structural properties
- Topological polar surface area
- 48.4 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 10
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 457
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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