Basic information
- CAS
5427-45-2- Standard SMILES
O=c1[nH]c2ccccc2c(O)c1CCCC1CCCCC1- InChIKey
MYEOTJDGYRQIFA-UHFFFAOYSA-N- Molecular formula
- C18H23NO2
- Average molar mass
- 285.4 g/mol
- Monoisotopic mass
- 285.17287898
Names & identifiers
- Preferred name
- 3-(3-Cyclohexylpropyl)-2,4-quinolinediol
- IUPAC
- 3-(3-cyclohexylpropyl)-4-hydroxy-1H-quinolin-2-one
Names & synonyms
5427-45-23-(3-Cyclohexylpropyl)-2,4-quinolinediolIYA9S28S1UNSC 13034NSC-13034UNII-IYA9S28S1UDTXSID002026282,4-QUINOLINEDIOL, 3-(3-CYCLOHEXYLPROPYL)-2(1H)-QUINOLINONE, 3-(3-CYCLOHEXYLPROPYL)-4-HYDROXY-RefChem:92307DTXCID301251193-(3-cyclohexylpropyl)-2-hydroxyquinolin-4(1h)-one
Show more names
NSC130343-(3-cyclohexylpropyl)quinoline-2,4-diolZINC016832263-(3-Cyclohexylpropyl)-4-hydroxyquinolin-2(1H)-one
Database identifiers
- CAS
5427-45-2- PubChem CID
- 54690688
- DTXSID
DTXSID00202628- UNII
- IYA9S28S1U
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 49.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 409
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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