Basic information
- CAS
529-73-7- Standard SMILES
COc1cc(NC(C)CCCNC(C)C)c2ncccc2c1- InChIKey
FXVNYPZBTGPKQO-UHFFFAOYSA-N- Molecular formula
- C18H27N3O
- Average molar mass
- 301.4 g/mol
- Monoisotopic mass
- 301.21541249
Names & identifiers
- Preferred name
- Isopentaquine
- IUPAC
- 4-N-(6-methoxyquinolin-8-yl)-1-N-propan-2-ylpentane-1,4-diamine
- English name
- Isopentaquine
- Molecular formula
- C18H27N3O
- Molecular weight
- 301.43
Names & synonyms
Isopentaquine529-73-78-(4-(Isopropylamino)-1-methylbutylamino)-6-methoxyquinolineRefChem:149712N(4)-(6-Methoxy-8-quinolinyl)-N(1)-(1-methylethyl)-1,4-pentanediamine4-N-(6-methoxyquinolin-8-yl)-1-N-propan-2-ylpentane-1,4-diamineN1-isopropyl-N4-(6-methoxyquinolin-8-yl)pentane-1,4-diamineSN 13,274S. N. 13274Quinoline, 8-((4-(isopropylamino)-1-methylbutyl)amino)-6-methoxy-Quinoline, 8-[[4-(isopropylamino)-1-methylbutyl]amino]-6-methoxy-NSC 88372
Show more names
N-Isopropyl-N'-(6-methoxy-8-quinolinyl)-1,4-pentanediamine8-(4-Isopropylamino-1-methylbutylamino)-6-methoxyquinoline1,4-Pentanediamine, N4-(6-methoxy-8-quinolinyl)-N1-(1-methylethyl)-
starbld0008137cid_98196CHEMBL480978BDBM40743NSC88372NSC-883721, N4-(6-methoxy-8-quinolinyl)-N1-(1-methylethyl)-isopropyl-[4-[(6-methoxy-8-quinolyl)amino]pentyl]amine
Database identifiers
- CAS
529-73-7- PubChem CID
- 98196
- ChEMBL
CHEMBL480978- Nikkaji
- J6.691E
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 46.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 311
Chemistry & industry
Applications
DescriptionIsopentaquine is an antimalarial drug.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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