2-(2,3-Dihydro-4-methoxyfuro(2,3-b)quinolin-2-yl)-1,2-propanediol
Basic information
- CAS
22964-77-8- Standard SMILES
COc1c2c(nc3ccccc13)OC(C(C)(O)CO)C2- InChIKey
NETGEQWGGLFVRL-UHFFFAOYSA-N- Molecular formula
- C15H17NO4
- Average molar mass
- 275.3 g/mol
- Monoisotopic mass
- 275.11575802
Overview
Dubinidine is an organic heterotricyclic compound, an organonitrogen heterocyclic compound and an oxacycle.
Names & identifiers
- Preferred name
- 2-(2,3-Dihydro-4-methoxyfuro(2,3-b)quinolin-2-yl)-1,2-propanediol
- IUPAC
- 2-(4-methoxy-2,3-dihydrofuro[2,3-b]quinolin-2-yl)propane-1,2-diol
- English name
- 2-(4-METHOXY-2,3-DIHYDRO-FURO[2,3-B]QUINOLIN-2-YL)-PROPANE-1,2-DIOL
- Molecular formula
- C15H17NO4
- Molecular weight
- 275.3
Names & synonyms
Dubinidine22964-77-82-(4-methoxy-2,3-dihydrofuro[2,3-b]quinolin-2-yl)propane-1,2-diolDTXSID303319952-(4-methoxy-2,3-dihydrofuro(2,3-b)quinolin-2-yl)propane-1,2-diolRefChem:935360DTXCID102830892-(2,3-Dihydro-4-methoxyfuro(2,3-b)quinolin-2-yl)-1,2-propanediol2-{4-METHOXY-2H,3H-FURO[2,3-B]QUINOLIN-2-YL}PROPANE-1,2-DIOLPrestwick0_001085SMR0001373222-(4-methoxy-2,3-dihydrofuro[2,3-b]quinolin-2-yl)-1,2-propanediol
Show more names
TOSLAB 8045741,2-Propanediol, 2-(2,3-dihydro-4-methoxyfuro[2,3-b]quinolin-2-yl)-2-(4-METHOXY-2,3-DIHYDRO-FURO[2,3-B]QUINOLIN-2-YL)-PROPANE-1,2-DIOL
SR-01000075830AC1L9DLNPrestwick1_001085Prestwick2_001085Prestwick3_001085Cambridge id 5255767TimTec1_000662Lopac0_000422
Database identifiers
- CAS
22964-77-8- PubChem CID
- 442897
- DTXSID
DTXSID30331995- ChEMBL
CHEMBL1255737- ChEBI
CHEBI:4722- Nikkaji
- J2.774.582B
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 71.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 353
Physicochemical properties
- Melting point
- 132 · 132-133 °C(Solv: acetone (67-64-1))
- Boiling point
- 482.1 · 482.1±45.0 °C(Predicted)
- Density
- 1.338 · 1.338±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 13.14 · 13.14±0.29(Predicted)
- Safety Statements
- 22 · 22-24/25
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- safety_code
- 22-24/25
Chemistry & industry
Additional notes
DefinitionChEBI: Dubinidine is an organic heterotricyclic compound, an oxacycle and an organonitrogen heterocyclic compound.
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…