Flindersine
Basic information
- CAS
523-64-8- Standard SMILES
CC1(C)C=Cc2c(c3ccccc3[nH]c2=O)O1- InChIKey
PXNMNABLQWUMCX-UHFFFAOYSA-N- Molecular formula
- C14H13NO2
- Average molar mass
- 227.26 g/mol
- Monoisotopic mass
- 227.09462866
Overview
Flindersine is an organic heterotricyclic compound, an organonitrogen heterocyclic compound and an oxacycle.
Names & identifiers
- Preferred name
- Flindersine
- IUPAC
- 2,2-dimethyl-6H-pyrano[3,2-c]quinolin-5-one
- English name
- FLINDERSINE
- Molecular formula
- C14H13NO2
- Molecular weight
- 227.26
Names & synonyms
Flindersine523-64-82,2-dimethyl-6H-pyrano[3,2-c]quinolin-5-one6A8PD12CKPNSC-94655DTXSID802003242,2-dimethyl-6H-pyrano(3,2-c)quinolin-5-oneRefChem:921666DTXCID801228152,2-dimethyl-2,6-dihydro-5H-pyrano[3,2-c]quinolin-5-oneST0447832,2-Dimethyl-2,6-dihydro-pyrano[3,2-c]quinolin-5-one
Show more names
5H-Pyrano[3,2-c]quinolin-5-one, 2,6-dihydro-2,2-dimethyl-
2,2-dimethyl-6-hydro-2H-pyrano[5,6-c]quinolin-5-one2h-pyrano[3,2-c]quinolin-5-ol, 2,2-dimethyl-UNII-6A8PD12CKPNSC 94655starbld0041951FLINDERSINE [MI]Oprea1_017316Oprea1_138192
Database identifiers
- CAS
523-64-8- PubChem CID
- 68230
- DTXSID
DTXSID80200324- ChEMBL
CHEMBL1507844- ChEBI
CHEBI:5094- UNII
- 6A8PD12CKP
- Nikkaji
- J11.708K
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 420
Physicochemical properties
- Melting point
- 185 · 185-186 °C (decomp)(Solv: methanol (67-56-1))
- Boiling point
- 441 · 441.0±45.0 °C(Predicted)
- Density
- 1.25 · 1.25±0.1 g/cm3(Predicted)
- pka
- 12.61 · 12.61±0.40(Predicted)
- FDA UNII
- 6 A8PD12CKP · 6A8PD12CKP
Chemistry & industry
Additional notes
DefinitionChEBI: Flindersine is an oxacycle, an organonitrogen heterocyclic compound and an organic heterotricyclic compound.
Related reactions
1 records
Compound notes
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