(I+/-R)-I+/--[[[3-[[2-(3,5-Difluorophenoxy)ethyl]methylamino]propyl]amino]methyl]-6-methoxy-4-quinolinemethanol
Basic information
- CAS
706809-61-2- Standard SMILES
COc1ccc2nccc([C@@H](O)CNCCCN(C)CCOc3cc(F)cc(F)c3)c2c1- InChIKey
CRMJFEMLEMWZQK-DEOSSOPVSA-N- Molecular formula
- C24H29F2N3O3
- Average molar mass
- 445.5 g/mol
- Monoisotopic mass
- 445.21769812
Names & identifiers
- Preferred name
- (I+/-R)-I+/--[[[3-[[2-(3,5-Difluorophenoxy)ethyl]methylamino]propyl]amino]methyl]-6-methoxy-4-quinolinemethanol
- IUPAC
- (1R)-2-[3-[2-(3,5-difluorophenoxy)ethyl-methylamino]propylamino]-1-(6-methoxyquinolin-4-yl)ethanol
Names & synonyms
CHEMBL529488SCHEMBL3921635CRMJFEMLEMWZQK-DEOSSOPVSA-NDTXSID401110785706809-61-2(I+/-R)-I+/--[[[3-[[2-(3,5-Difluorophenoxy)ethyl]methylamino]propyl]amino]methyl]-6-methoxy-4-quinolinemethanol(R)-2-(3-{[2-(3,5-difluoro-phenoxy)-ethyl]-methyl-amino}-propylamino}-1-(6-methoxy-quinolin-4-yl)-ethanol
Database identifiers
- CAS
706809-61-2- PubChem CID
- 44535577
- DTXSID
DTXSID401110785- ChEMBL
CHEMBL529488
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 66.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 12
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 523
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Related reactions
1 records
Compound notes
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