Coumarin, 7-(3-(dimethylamino)propoxy)-3-(4-pyridyl)-
Basic information
- CAS
5913-19-9- Standard SMILES
CN(C)CCCOc1cccc2cc(-c3ccncc3)c(=O)oc12- InChIKey
OQMWRXMKONOZIA-UHFFFAOYSA-N- Molecular formula
- C19H20N2O3
- Average molar mass
- 324.4 g/mol
- Monoisotopic mass
- 324.1473925
Names & identifiers
- Preferred name
- Coumarin, 7-(3-(dimethylamino)propoxy)-3-(4-pyridyl)-
- IUPAC
- 8-[3-(dimethylamino)propoxy]-3-pyridin-4-ylchromen-2-one
Names & synonyms
7-(3-(Dimethylamino)propoxy)-3-(4-pyridyl)coumarin7-[3-(Dimethylamino)propoxy]-3-(4-pyridyl)coumarinBRN 0816546DTXSID50974565COUMARIN, 7-(3-(DIMETHYLAMINO)PROPOXY)-3-(4-PYRIDYL)-8-[3-(Dimethylamino)propoxy]-3-(pyridin-4-yl)-2H-1-benzopyran-2-one
Database identifiers
- CAS
5913-19-9- PubChem CID
- 22203
- DTXSID
DTXSID50974565
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 51.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 458
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