Naphthoquine
Basic information
- CAS
173531-57-2- Standard SMILES
CC(C)(C)NCc1cc(Nc2ccnc3cc(Cl)ccc23)c2c(c1O)CCCC2- InChIKey
VEVMYTDOWUQLGI-UHFFFAOYSA-N- Molecular formula
- C24H28ClN3O
- Average molar mass
- 409.9 g/mol
- Monoisotopic mass
- 409.1920902
Overview
Naphthoquine is under investigation in clinical trial NCT01930331 (Safety, Tolerability, Pharmacokinetics and Efficacy of ARCO).
Names & identifiers
- Preferred name
- Naphthoquine
- IUPAC
- 2-[(tert-butylamino)methyl]-4-[(7-chloroquinolin-4-yl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol
Names & synonyms
Naphthoquine173531-57-2TRY8UD4E2H4-(7-Chloro-4-aminoquinoline)-2-tert-butylaminomethyl-5,6,7,8-4hydro-1-naphthol2-((tert-Butylamino)methyl)-4-((7-chloroquinolin-4-yl)amino)-5,6,7,8-tetrahydronaphthalen-1-ol1-Naphthalenol, 4-((7-chloro-4-quinolinyl)amino)-2-(((1,1-dimethylethyl)amino)methyl)-5,6,7,8-tetrahydro-4-((7-Chloro-4-quinolinyl)amino)-2-(((1,1-dimethylethyl)amino)methyl)-5,6,7,8-tetrahydro-1-naphthalenol2-[(tert-butylamino)methyl]-4-[(7-chloroquinolin-4-yl)amino]-5,6,7,8-tetrahydronaphthalen-1-olRefChem:164762UNII-TRY8UD4E2Hnaphthoquine-phosphateNAPHTHOQUINE [WHO-DD]
Show more names
CHEMBL4303411SCHEMBL29379865GTPL10396NCGC00378822-01NCGC00378822-02BRD-K13664493-316-01-7BRD-K13664493-316-02-5Q27290230
Database identifiers
- CAS
173531-57-2- PubChem CID
- 9851775
- ChEMBL
CHEMBL4303411
Properties
Computed structural properties
- XLogP
- 6.3
- Topological polar surface area
- 57.2 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 539
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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