4-[(7-Chloro-4-quinolinyl)amino]-1-pentanol
Basic information
- CAS
10500-64-8- Standard SMILES
CC(CCCO)Nc1ccnc2cc(Cl)ccc12- InChIKey
BZUKCXDUDOUBKN-UHFFFAOYSA-N- Molecular formula
- C14H17ClN2O
- Average molar mass
- 264.75 g/mol
- Monoisotopic mass
- 264.1029409
Names & identifiers
- Preferred name
- 4-[(7-Chloro-4-quinolinyl)amino]-1-pentanol
- IUPAC
- 4-[(7-chloroquinolin-4-yl)amino]pentan-1-ol
- English name
- 4-[(7-Chloro-4-quinolinyl)amino]-1-pentanol
- Molecular formula
- C14H17ClN2O
- Molecular weight
- 264.75
Names & synonyms
10500-64-84-[(7-CHLORO-4-QUINOLINYL)AMINO]-1-PENTANOL4-((7-Chloroquinolin-4-yl)amino)pentan-1-olHydroxychloroquine Impurity E4-[(7-chloroquinolin-4-yl)amino]pentan-1-olEJE6FV8MPAGNF-Pf-19781-Pentanol, 4-[(7-chloro-4-quinolinyl)amino]-UNII-EJE6FV8MPA4-((7-chloro-4-quinolinyl)amino)-1-pentanol1-Pentanol, 4-((7-chloro-4-quinolinyl)amino)-Hydroxychloroquine sulfate impurity E [EP]
Show more names
Plaquenil Impurity 1Clioquinol Impurity 2Hydroxy chloroquine Imp EHydroxychloroquine Sulphate EHydroxychloroquine EP ImpurityHydroxychloroquine sulfate Impurity E
Hydroxychloroquine Sulfate EP Impurity EHydroxychloroquine EP Impurity E1-Pentanol, 4-[(7-chloro-4-quinolinyl)amino]-; 1-Pentanol, 4-[(7-chloro-4-quinolyl)amino]- (7CI,8CI); 4-[(7-Chloro-4-quinolinyl)amino]-1-pentanol; 4-[(7-Chloroquinolin-4-yl)amino]-1-pentanol; 4-[(7-Chloroquinolin-4-yl)amino]pentan-1-ol4-(4'-Hydroxy-1'-methyl-3,4-butylamino)-7-chloroquinolineCHEMBL579159orb1983321SCHEMBL24686033DTXSID00328190
Database identifiers
- CAS
10500-64-8- PubChem CID
- 407550
- DTXSID
DTXSID00328190- ChEMBL
CHEMBL579159- UNII
- EJE6FV8MPA
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 45.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 252
Physicochemical properties
- Melting point
- 158 · 158-160°C
- Boiling point
- 453.7 · 453.7±40.0 °C(Predicted)
- Density
- 1.248 · 1.248±0.06 g/cm3(Predicted)
- storage temp.
- Refrigerator
- solubility
- Acetonitrile (Slightly), Chloroform (Slightly), Methanol (Slightly)
- form
- Solid
- pka
- 15.09 · 15.09±0.10(Predicted)
- color
- Pale Yellow to Dark Yellow
- InChI
- InChI=1S/C14H17ClN2O/c1-10(3-2-8-18)17-13-6-7-16-14-9-11(15)4-5-12(13)14/h4-7,9-10,18H,2-3,8H2,1H3,(H,16,17)
- InChIKey
- BZUKCXDUDOUBKN-UHFFFAOYSA-N
- SMILES
- C(O)CCC(NC1C2C(N=CC=1)=CC(Cl)=CC=2)C
- FDA UNII
- 6 FV8MPA · EJE6FV8MPA
Chemistry & industry
Applications
UsesAn intermediate in the preparation of Cletoquine Oxalate and Chloroquinolin
Upstream & downstream products
Downstream products
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Compound notes
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