Dau-5750
Basic information
- CAS
164575-86-4- Standard SMILES
CN1[C@@H]2CC[C@H]1CC(OC(=O)[C@@]1(C)Cc3ccccc3NC1=O)C2- InChIKey
HQZQXIVKGOJOLP-FKGKKHCZSA-N- Molecular formula
- C19H24N2O3
- Average molar mass
- 328.4 g/mol
- Monoisotopic mass
- 328.17869263
Overview
RN refers to (3(S)-endo)-isomer; M1-M3 muscarinic receptor antagonist; structure in first source
Names & identifiers
- Preferred name
- Dau-5750
- IUPAC
- [(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] (3S)-3-methyl-2-oxo-1,4-dihydroquinoline-3-carboxylate
Names & synonyms
Dau-5750Dau 5750RefChem:130998164575-86-4[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] (3S)-3-methyl-2-oxo-1,4-dihydroquinoline-3-carboxylateDTXSID80936959(1R,5S)-8-Methyl-8-azabicyclo[3.2.1]octan-3-yl (3S)-2-hydroxy-3-methyl-3,4-dihydroquinoline-3-carboxylate3-Quinolinecarboxylic acid, 1,2,3,4-tetrahydro-3-methyl-2-oxo-, 8-methyl-8-azabicyclo(3.2.1)oct-3-yl ester, (3(S)-endo)-8-Methyl-8-azabicyclo[3.2.1]octan-3-yl 2-hydroxy-3-methyl-3,4-dihydroquinoline-3-carboxylate
Database identifiers
- CAS
164575-86-4- PubChem CID
- 190973
- DTXSID
DTXSID80936959
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 58.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 523
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Related reactions
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Compound notes
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