Haplamine
Basic information
- CAS
52617-31-9- Standard SMILES
COc1ccc2[nH]c(=O)c3c(c2c1)OC(C)(C)C=C3- InChIKey
IXRKDGGGFFCRIR-UHFFFAOYSA-N- Molecular formula
- C15H15NO3
- Average molar mass
- 257.28 g/mol
- Monoisotopic mass
- 257.10519334
Overview
9-Methoxy-2,2-dimethyl-6H-pyrano[3,2-c]quinolin-5-one is an organic heterotricyclic compound, an organonitrogen heterocyclic compound and an oxacycle.
Names & identifiers
- Preferred name
- Haplamine
- IUPAC
- 9-methoxy-2,2-dimethyl-6H-pyrano[3,2-c]quinolin-5-one
- English name
- 9-methoxy-2,2-dimethyl-6H-pyrano[3,2-c]quinolin-5-one
- Molecular formula
- C15H15NO3
- Molecular weight
- 257.28
Names & synonyms
HAPLAMINE52617-31-99-methoxy-2,2-dimethyl-6H-pyrano[3,2-c]quinolin-5-oneDTXSID7013469339-methoxy-2,2-dimethyl-6H-pyrano(3,2-c)quinolin-5-oneRefChem:145235DTXCID601775648MLS000073264SMR0000012899-methoxy-2,2-dimethyl-2,6-dihydro-5H-pyrano[3,2-c]quinolin-5-one9-Methoxy-2,2-dimethyl-2,6-dihydro-pyrano[3,2-c]quinolin-5-oneHaplamine (6-Methoxyflindersine)
Show more names
5H-Pyrano[3,2-c]quinolin-5-one, 2,6-dihydro-9-methoxy-2,2-dimethyl-
9-methoxy-2,2-dimethyl-2H-pyrano[3,2-c]quinolin-5(6H)-one9-methoxy-2,2-dimethyl-6-hydro-2H-pyrano[5,6-c]quinolin-5-oneTNP00205haplamine [M+H]+Opera_ID_1486CBMicro_015460Cambridge id 5255761Oprea1_154408
Database identifiers
- CAS
52617-31-9- PubChem CID
- 648601
- DTXSID
DTXSID701346933- ChEMBL
CHEMBL1488010- ChEBI
CHEBI:182487- Nikkaji
- J759.750I
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 47.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 464
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical shift
Physicochemical properties
- Melting point
- 210 °C · 210 °C
- Boiling point
- 480.5 · 480.5±45.0 °C(Predicted)
- Density
- 1.26 · 1.26±0.1 g/cm3(Predicted)
- pka
- 12.05 · 12.05±0.40(Predicted)
Chemistry & industry
Additional notes
DefinitionChEBI: 9-Methoxy-2,2-dimethyl-6H-pyrano[3,2-c]quinolin-5-one is an organic heterotricyclic compound, an organonitrogen heterocyclic compound and an oxacycle.
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