Basic information
- CAS
790683-57-7- Standard SMILES
Cc1cc2oc(=O)cc(CN3CCCCC3C)c2cc1Cl- InChIKey
IWBGOPQIZMLDEE-UHFFFAOYSA-N- Molecular formula
- C17H20ClNO2
- Average molar mass
- 305.8 g/mol
- Monoisotopic mass
- 305.1182566
Names & identifiers
- Preferred name
- 6-chloro-7-methyl-4-((2-methylpiperidin-1-yl)methyl)-2H-chromen-2-one
- IUPAC
- 6-chloro-7-methyl-4-[(2-methylpiperidin-1-yl)methyl]chromen-2-one
Names & synonyms
790683-57-76-chloro-7-methyl-4-((2-methylpiperidin-1-yl)methyl)-2H-chromen-2-one6-chloro-7-methyl-4-[(2-methylpiperidin-1-yl)methyl]chromen-2-one6-chloro-7-methyl-4-[(2-methylpiperidin-1-yl)methyl]-2H-chromen-2-oneMLS001214695CHEMBL1511629DTXSID101322779HMS2867L24STK581627AKOS001215868AKOS016303023NCGC00277590-01
Show more names
SMR000543599ST50471549AB00747965-01AB00747965-07Z46223902F1864-00796-chloro-7-methyl-4-[(2-methylpiperidyl)methyl]chromen-2-one6-Chloro-7-methyl-4-[(2-methylpiperidin-1-yl)methyl]-2H-1-benzopyran-2-one
Database identifiers
- CAS
790683-57-7- PubChem CID
- 4875117
- DTXSID
DTXSID101322779- ChEMBL
CHEMBL1511629
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 437
Experimental & physicochemical properties
Solubility4.5 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…