Basic information
- CAS
5877-15-6- Standard SMILES
O=C(NCc1ccco1)c1cc(-c2ccccc2)nc2ccccc12- InChIKey
OYHXBMMYGNHLIE-UHFFFAOYSA-N- Molecular formula
- C21H16N2O2
- Average molar mass
- 328.4 g/mol
- Monoisotopic mass
- 328.12117776
Names & identifiers
- Preferred name
- N-(furan-2-ylmethyl)-2-phenylquinoline-4-carboxamide
- IUPAC
- N-(furan-2-ylmethyl)-2-phenylquinoline-4-carboxamide
Names & synonyms
N-(furan-2-ylmethyl)-2-phenylquinoline-4-carboxamide5877-15-6DTXSID60366896RefChem:362727DTXCID10317934N-(2-furylmethyl)-2-phenyl-4-quinolinecarboxamideN-[(furan-2-yl)methyl]-2-phenylquinoline-4-carboxamideMLS000533597CBMicro_036045Oprea1_194107CHEMBL1369924HMS2296G05
Show more names
STK005623AKOS002108033WAY-335445NCGC00315325-01SMR000141035BIM-0035883.P001EU-0030178ST50693796
Database identifiers
- CAS
5877-15-6- PubChem CID
- 2188237
- DTXSID
DTXSID60366896- ChEMBL
CHEMBL1369924
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 449
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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