Basic information
- CAS
1643-45-4- Standard SMILES
CCN(CC)Cc1ccc(Nc2ccnc3cc(Cl)ccc23)cc1O- InChIKey
QGFYFOHMBDMGBZ-UHFFFAOYSA-N- Molecular formula
- C20H22ClN3O
- Average molar mass
- 355.9 g/mol
- Monoisotopic mass
- 355.14514
Overview
an antimalarial; structure in first source
Names & identifiers
- Preferred name
- 5-(7-Chloroquinolin-4-ylamino)-2-diethylaminomethylphenol
- IUPAC
- 5-[(7-chloroquinolin-4-yl)amino]-2-(diethylaminomethyl)phenol
Names & synonyms
ISQ1 cpdRefChem:1498895-(7-chloroquinolin-4-ylamino)-2-diethylaminomethylphenol1643-45-4ISOQUINE5-((7-Chloroquinolin-4-yl)amino)-2-((diethylamino)methyl)phenol5-[(7-Chloro-4-quinolyl)amino]-2-[(diethylamino)methyl]phenolMFCD00599415CHEMBL1475875-[(7-chloroquinolin-4-yl)amino]-2-(diethylaminomethyl)phenol5-[(7-chloro-4-quinolyl)amino]-2-(diethylaminomethyl)phenol5-[(7-Chloro-4-quinolinyl)amino]-2-[(diethylamino)methyl]phenol
Show more names
NINDS_000687Spectrum_000046GKN7GKK6EYSpectrum2_000768Spectrum3_000299Spectrum4_000147Spectrum5_000808BSPBio_001838
Database identifiers
- CAS
1643-45-4- PubChem CID
- 2166
- ChEMBL
CHEMBL147587- UNII
- GKN7GKK6EY
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 48.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 406
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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