3-Benzoylquinoline
Completing data — refresh the page later to see the latest
Basic information
- CAS
37045-14-0- Standard SMILES
O=C(c1ccccc1)c1cnc2ccccc2c1- InChIKey
UNOYNKRKFORAQV-UHFFFAOYSA-N- Molecular formula
- C16H11NO
- Average molar mass
- 233.26 g/mol
- Monoisotopic mass
- 233.08406397
Names & identifiers
- Preferred name
- 3-Benzoylquinoline
- IUPAC
- phenyl(quinolin-3-yl)methanone
- English name
- 3-Benzoylquinoline
- Molecular formula
- C16H11NO
- Molecular weight
- 233.26
Names & synonyms
3-Benzoylquinoline37045-14-0DTXSID60319660RefChem:276966DTXCID20270783phenyl(quinolin-3-yl)methanoneMFCD12877737phenyl(3-quinolyl)methanoneNSC349015PHENYL-(QUINOLIN-3-YL)-METHANONEPhenyl-quinolin-3-yl-methanoneAKOS005767686
Show more names
Phenyl-3-quinolinylmethanoneMethanone, phenyl-3-quinolinyl-
NSC-349015SB71813DS-012239F203251
Database identifiers
- CAS
37045-14-0- PubChem CID
- 336053
- DTXSID
DTXSID60319660- Nikkaji
- J89.145B
Properties
Computed structural propertiesFilling in
- XLogP
- 3.4
- Topological polar surface area
- 30 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 295
Physicochemical properties
- Melting point
- 75.6 °C · 75.6 °C
- Boiling point
- 165 · 165-167 °C(Press: 0.25 Torr)
- Density
- 1.196 · 1.196±0.06 g/cm3(Predicted)
- pka
- 3.16 · 3.16±0.11(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…