Basic information
- CAS
5417-50-5- Standard SMILES
CC(=O)Nc1cnc2ccccc2c1- InChIKey
VAECZJVLTOQMGP-UHFFFAOYSA-N- Molecular formula
- C11H10N2O
- Average molar mass
- 186.21 g/mol
- Monoisotopic mass
- 186.07931295
Names & identifiers
- Preferred name
- 3-Acetylaminoquinoline
- IUPAC
- N-quinolin-3-ylacetamide
- English name
- N-(3-quinolyl)acetamide
- Molecular formula
- C11H10N2O
- Molecular weight
- 186.21
Names & synonyms
3-Acetylaminoquinoline5417-50-5Acetamide, N-3-quinolinyl-DTXSID70202519NSC 7654RefChem:276234DTXCID50125010VAECZJVLTOQMGP-UHFFFAOYSA-Nn-(quinolin-3-yl)acetamide3-(acetylamino)quinolineNSC-7654CCRIS 1688
Show more names
N-(3-quinolyl)acetamideN-quinolin-3-ylethanamide
N-quinolin-3-ylacetamideAI3-22057NSC76543-acetamidoquinolineN-3-Quinolinylacetamiden-(quinol-3-yl)acetamide3-ACETAMINOGUINOLINE2R89AL5JHA
Database identifiers
- CAS
5417-50-5- PubChem CID
- 79448
- DTXSID
DTXSID70202519- ChEMBL
CHEMBL394895- UNII
- 2R89AL5JHA
- Nikkaji
- J1.427.007H
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 42 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 217
Experimental & physicochemical properties
LogP1.92
Physicochemical properties
- Melting point
- 166 · 166-167 °C
- Boiling point
- 416.5 · 416.5±18.0 °C(Predicted)
- Density
- 1.242 · 1.242±0.06 g/cm3(Predicted)
- pka
- 13.37 · 13.37±0.43(Predicted)
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers1 total
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
4 records
Compound notes
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