Basic information
- CAS
5911-88-6- Standard SMILES
COc1ccc2c(c1)c(OC)c(CC(O)C(C)(C)O)c(=O)n2C- InChIKey
JTXJNCKPWSEGQI-UHFFFAOYSA-N- Molecular formula
- C17H23NO5
- Average molar mass
- 321.4 g/mol
- Monoisotopic mass
- 321.15762283
Names & identifiers
- Preferred name
- 3-(2,3-Dihydroxy-3-methylbutyl)-4,6-dimethoxy-1-methyl-2(1H)-quinolinone
- IUPAC
- 3-(2,3-dihydroxy-3-methylbutyl)-4,6-dimethoxy-1-methylquinolin-2-one
Names & synonyms
5911-88-63-(2,3-Dihydroxy-3-methylbutyl)-4,6-dimethoxy-1-methyl-2(1H)-quinolinoneNSC296327NSC 2963273-(2,3-Dihydroxy-3-methylbutyl)-4,6-dimethoxy-1-methylquinolin-2(1H)-one5911-86-4NSC-2963273-(2,3-dihydroxy-3-methyl-butyl)-4,6-dimethoxy-1-methyl-quinolin-2-one
Database identifiers
- CAS
5911-88-6- PubChem CID
- 326149
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 79.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 487
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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