Clamoxyquin
Basic information
- CAS
2545-39-3- Standard SMILES
CCN(CC)CCCNCc1cc(Cl)c2cccnc2c1O- InChIKey
HOFHLRCDGWSLHX-UHFFFAOYSA-N- Molecular formula
- C17H24ClN3O
- Average molar mass
- 321.8 g/mol
- Monoisotopic mass
- 321.1607901
Overview
Clamoxyquin is a small molecule drug. Clamoxyquin has a monoisotopic molecular weight of 321.16 Da.
Names & identifiers
- Preferred name
- Clamoxyquin
- IUPAC
- 5-chloro-7-[[3-(diethylamino)propylamino]methyl]quinolin-8-ol
- English name
- Clamoxyquine
- Molecular formula
- C17H24ClN3O
- Molecular weight
- 321.85
Names & synonyms
CLAMOXYQUINECLAMOXYQUINClamoxiquinaClamoxyquinumUNII-JUN13FZ6RFClamoxyquine [INN:BAN]JUN13FZ6RFCLAMOXYQUINE [INN]DTXSID501801095-Chloro-7-((((3-dithylamino)propyl)amino)methyl)-8-quinolinol5-Chloro-7-(((3-(diethylamino)propyl)amino)methyl)-8-quinolinol5-Chloro-7-[[[3-(diethylamino)propyl]amino]methyl]-8-quinolinol
Show more names
8-Quinolinol, 5-chloro-7-[[[3-(diethylamino)propyl]amino]methyl]-
8-QUINOLINOL, 5-CHLORO-7-(((3-(DIETHYLAMINO)PROPYL)AMINO)METHYL)-5-chloro-7-({[3-(diethylamino)propyl]amino}methyl)-8-quinolinolRefChem:126764DTXCID10102600HOFHLRCDGWSLHX-UHFFFAOYSA-N2545-39-35-chloro-7-[[3-(diethylamino)propylamino]methyl]quinolin-8-ol5-chloro-7-(((3-(diethylamino)propyl)amino)methyl)quinolin-8-ol
Database identifiers
- CAS
2545-39-3- PubChem CID
- 18029
- DTXSID
DTXSID50180109- ChEMBL
CHEMBL2110791- UNII
- JUN13FZ6RF
- Nikkaji
- J7.609K
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 48.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 314
Experimental & physicochemical properties
LogP1.72
Physicochemical properties
- FDA UNII
- 13 FZ6RF · JUN13FZ6RF
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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