3-(3-Cyclohexylpropyl)quinolin-4(1h)-one
Basic information
- CAS
5442-54-6- Standard SMILES
O=c1c(CCCC2CCCCC2)c[nH]c2ccccc12- InChIKey
QBMDNJNOKKEASW-UHFFFAOYSA-N- Molecular formula
- C18H23NO
- Average molar mass
- 269.4 g/mol
- Monoisotopic mass
- 269.17796436
Names & identifiers
- Preferred name
- 3-(3-Cyclohexylpropyl)quinolin-4(1h)-one
- IUPAC
- 3-(3-cyclohexylpropyl)-1H-quinolin-4-one
Names & synonyms
3-(3-cyclohexylpropyl)quinolin-4(1h)-one5442-54-63-(3-cyclohexylpropyl)-1H-quinolin-4-oneNSC13033DTXSID50279527NSC-13033DS-004551
Database identifiers
- CAS
5442-54-6- PubChem CID
- 224510
- DTXSID
DTXSID50279527
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 368
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Compound notes
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