3-Ethyl-8-methoxy-2-propylquinoline
Basic information
- CAS
80609-91-2- Standard SMILES
CCCc1nc2c(OC)cccc2cc1CC- InChIKey
RBEVCYVDINBJIB-UHFFFAOYSA-N- Molecular formula
- C15H19NO
- Average molar mass
- 229.32 g/mol
- Monoisotopic mass
- 229.14666423
Names & identifiers
- Preferred name
- 3-Ethyl-8-methoxy-2-propylquinoline
- IUPAC
- 3-ethyl-8-methoxy-2-propylquinoline
- English name
- 3-Ethyl-8-methoxy-2-propyl-quinoline
- Molecular formula
- C15H19NO
- Molecular weight
- 229.32
Names & synonyms
3-Ethyl-8-methoxy-2-propylquinoline80609-91-2DTXSID90513376RefChem:279245DTXCID00464183AKOS015965972AC-208403-Ethyl-8-methoxy-2-propyl-quinolineQuinoline, 3-ethyl-8-methoxy-2-propyl-
Database identifiers
- CAS
80609-91-2- PubChem CID
- 12935083
- DTXSID
DTXSID90513376- Nikkaji
- J3.223.182I
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 22.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 231
Physicochemical properties
- Boiling point
- 331.7 · 331.7±37.0 °C(Predicted)
- Density
- 1.028 · 1.028±0.06 g/cm3(Predicted)
- pka
- 4.3 · 4.30±0.50(Predicted)
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Compound notes
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