Basic information
- Standard SMILES
O=C(c1ccc(Cl)cc1)c1ccc2ccccc2n1- InChIKey
XVHQTNKRSJARIQ-UHFFFAOYSA-N- Molecular formula
- C16H10ClNO
- Average molar mass
- 267.71 g/mol
- Monoisotopic mass
- 267.0450916
Names & identifiers
- Preferred name
- 2-(4-Chlorobenzoyl)-quinoline
- IUPAC
- (4-chlorophenyl)-quinolin-2-ylmethanone
Names & synonyms
CHEMBL5516702-(4-chlorobenzoyl)-quinolineSCHEMBL11180845XVHQTNKRSJARIQ-UHFFFAOYSA-NBDBM50414525AKOS012525514
Database identifiers
- PubChem CID
- 12495545
- ChEMBL
CHEMBL551670- Nikkaji
- J3.115.708K
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 30 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 325
Related reactions
2 records
Linked notes
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