R214127
Basic information
- CAS
409345-76-2- Standard SMILES
O=C(Cc1ccccc1)c1ccc2nc3c(cc2c1)CCCO3- InChIKey
HXUSRWUBSYSWII-UHFFFAOYSA-N- Molecular formula
- C20H17NO2
- Average molar mass
- 303.4 g/mol
- Monoisotopic mass
- 303.12592879
Overview
an mGlu1 receptor ligand; structure in first source
Names & identifiers
- Preferred name
- R214127
- IUPAC
- 1-(3,4-dihydro-2H-pyrano[2,3-b]quinolin-7-yl)-2-phenylethanone
- English name
- 1-(3,4-dihydro-2H-pyrano[2,3-b]quinolin-7-yl)-2-phenylethanone
- Molecular formula
- C20H17NO2
- Molecular weight
- 303.35
Names & synonyms
409345-76-2R214127R 214127R-214127RefChem:9305251-(3,4-dihydro-2H-pyrano[2,3-b]quinolin-7-yl)-2-phenylethanoneCHEMBL369459Ethanone, 1-(3,4-dihydro-2H-pyrano[2,3-b]quinolin-7-yl)-2-phenyl-[3H]R214127[3H]-R214127SCHEMBL662314GTPL1391
Show more names
GTPL6336orb1695537DTXSID20440505BDBM50163606PDSP1_000350PDSP2_000348AKOS028110267T34243
Database identifiers
- CAS
409345-76-2- PubChem CID
- 10470232
- DTXSID
DTXSID20440505- ChEMBL
CHEMBL369459
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 39.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 418
Physicochemical properties
- Melting point
- 128 °C · 128 °C
- Boiling point
- 509.8 · 509.8±45.0 °C(Predicted)
- Density
- 1.228 · 1.228±0.06 g/cm3(Predicted)
- pka
- 2.62 · 2.62±0.20(Predicted)
Chemistry & industry
Applications
DescriptionR214127 is a novel high-affinity radioligand for the mGlu1 receptor.
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…