Basic information
- Standard SMILES
COc1cc(NC(C)CCCN)c2nccc(C)c2c1Oc1ccc(Cl)c(Cl)c1- InChIKey
UEFVAUCKVCFRDW-UHFFFAOYSA-N- Molecular formula
- C22H25Cl2N3O2
- Average molar mass
- 434.4 g/mol
Overview
has antimalarial activity; NPC 1161C is the succinate salt; structure in first source
Names & identifiers
- Preferred name
- 8-((4-Amino-1-methylbutyl)amino)-5-(3,4-dichlorophenoxy)-6-methoxy-4-methylquinoline
- IUPAC
- 4-N-[5-(3,4-dichlorophenoxy)-6-methoxy-4-methylquinolin-8-yl]pentane-1,4-diamine
Names & synonyms
8-((4-Amino-1-methylbutyl)amino)-5-(3,4-dichlorophenoxy)-6-methoxy-4-methylquinoline8-[(4-amino-1-methylbutyl)amino]-5-(3,4-dichlorophenoxy)-6-methoxy-4-methylquinolineRefChem:914465CHEMBL534756SCHEMBL3856309UEFVAUCKVCFRDW-UHFFFAOYSA-NBDBM50364483NSC727822NSC-7278224-[[4-Methyl-5-(3,4-dichlorophenoxy)-6-methoxyquinoline-8-yl]amino]-1-pentaneamine4-N-[5-(3,4-dichlorophenoxy)-6-methoxy-4-methylquinolin-8-yl]pentane-1,4-diamineDN3 27-1
Show more names
1,4-Pentanediamine, N4-[5-(3,4-dichlorophenoxy)-6-methoxy-4-methyl-8-quinolinyl]-N4-[5-(3,4-dichlorophenoxy)-6-methoxy-4-methyl-8-quinolyl]pentane-1,4-diamine(+/-)-8-[(4-Amino-1-methylbutyl)amino]-5-(3,4-dichlorophenoxy)-6-methoxy-4-methyl-quinoline
Database identifiers
- PubChem CID
- 473589
- ChEMBL
CHEMBL534756- Nikkaji
- J2.378.352E
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 69.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 501
Related reactions
2 records
Compound notes
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