67DV2Kbz9Q
Basic information
- CAS
228725-44-8- Standard SMILES
O=C(NCc1ccc(Cl)cc1)c1c[nH]c2c(F)cccc2c1=O- InChIKey
ZUZVLSCMJSYXFG-UHFFFAOYSA-N- Molecular formula
- C17H12ClFN2O2
- Average molar mass
- 330.7 g/mol
- Monoisotopic mass
- 330.0571335
Names & identifiers
- Preferred name
- 67DV2Kbz9Q
- IUPAC
- N-[(4-chlorophenyl)methyl]-8-fluoro-4-oxo-1H-quinoline-3-carboxamide
Names & synonyms
67DV2KBZ9QPNU-145185UNII-67DV2KBZ9Q228725-44-83-Quinolinecarboxamide, N-((4-chlorophenyl)methyl)-8-fluoro-4-hydroxy-N-((4-Chlorophenyl)methyl)-8-fluoro-4-hydroxy-3-quinolinecarboxamideCHEMBL508592SCHEMBL6198854ZUZVLSCMJSYXFG-UHFFFAOYSA-NN-[(4-Chlorophenyl)methyl](8-fluoro-4-hydroxy(3-quinolyl))carboxamideN-[(4-Chlorophenyl)methyl]-8-fluoro-4-hydroxy-3-quinoline-carboxamideN-[(4-chlorophenyl)methyl]-8-fluoro-4-hydroxy-quinoline-3-carboxamide
Database identifiers
- CAS
228725-44-8- PubChem CID
- 484044
- ChEMBL
CHEMBL508592- UNII
- 67DV2KBZ9Q
- Nikkaji
- J1.689.940B
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 58.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 503
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Related reactions
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Compound notes
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