Basic information
- CAS
70391-31-0- Standard SMILES
COc1ccc(C(=O)N2c3ccccc3C=CC2C#N)cc1- InChIKey
WUJAMDNMCMEVOJ-UHFFFAOYSA-N- Molecular formula
- C18H14N2O2
- Average molar mass
- 290.3 g/mol
- Monoisotopic mass
- 290.10552769
Overview
1-[(4-methoxyphenyl)-oxomethyl]-2H-quinoline-2-carbonitrile is a member of quinolines.
Names & identifiers
- Preferred name
- 1-(4-Methoxybenzoyl)-1,2-dihydroquinoline-2-carbonitrile
- IUPAC
- 1-(4-methoxybenzoyl)-2H-quinoline-2-carbonitrile
- English name
- 1-(4-methoxybenzoyl)-1,2-dihydro-2-quinolinecarbonitrile
- Molecular formula
- C18H14N2O2
- Molecular weight
- 290.31596
Names & synonyms
1-(4-methoxybenzoyl)-1,2-dihydroquinoline-2-carbonitrile70391-31-01-(4-methoxybenzoyl)-2H-quinoline-2-carbonitrile1-(4-methoxybenzoyl)-1,2-dihydro-2-quinolinecarbonitrileNSC131499Oprea1_330028MLS000756229SCHEMBL9366677CHEMBL1319004DTXSID10299589CHEBI:117194HMS2619K10
Show more names
NSC-131499SB70492SMR000226369AG-777/25006450Q272038251-[(4-methoxyphenyl)-oxomethyl]-2H-quinoline-2-carbonitrile
Database identifiers
- CAS
70391-31-0- PubChem CID
- 280107
- DTXSID
DTXSID10299589- ChEMBL
CHEMBL1319004- ChEBI
CHEBI:117194
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 53.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 485
Chemistry & industry
Suppliers2 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
SPECS[email protected]
Additional notes
DefinitionChEBI: 1-[(4-methoxyphenyl)-oxomethyl]-2H-quinoline-2-carbonitrile is a member of quinolines.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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