1H-Oxazolo(3,4-a)quinolin-1-one, 3,3a,4,5-tetrahydro-7-methoxy-3-((methylamino)methyl)-, monohydrochloride, cis-
Basic information
- CAS
125447-96-3- Standard SMILES
CNC[C@@H]1OC(=O)N2c3ccc(OC)cc3CC[C@@H]12.Cl- InChIKey
ZRNRPKYKOWQXGQ-QNTKWALQSA-N- Molecular formula
- C14H19ClN2O3
- Average molar mass
- 298.76 g/mol
- Monoisotopic mass
- 298.1084202
Names & identifiers
- Preferred name
- 1H-Oxazolo(3,4-a)quinolin-1-one, 3,3a,4,5-tetrahydro-7-methoxy-3-((methylamino)methyl)-, monohydrochloride, cis-
- IUPAC
- (3S,3aS)-7-methoxy-3-(methylaminomethyl)-3,3a,4,5-tetrahydro-[1,3]oxazolo[3,4-a]quinolin-1-one;hydrochloride
Names & synonyms
MD 370026125447-96-31H-Oxazolo(3,4-a)quinolin-1-one, 3,3a,4,5-tetrahydro-7-methoxy-3-((methylamino)methyl)-, monohydrochloride, cis-DTXSID60154775RefChem:239441DTXCID1077266(3S,3aS)-7-Methoxy-3-[(methylamino)methyl]-3,3a,4,5-tetrahydro-1H-[1,3]oxazolo[3,4-a]quinolin-1-one--hydrogen chloride (1/1)
Database identifiers
- CAS
125447-96-3- PubChem CID
- 3079352
- DTXSID
DTXSID60154775
Properties
Computed structural properties
- Topological polar surface area
- 50.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 350
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Related reactions
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Compound notes
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