2-Piperidin-1-yl-thiazole-5-carboxylic acid (7-chloro-4-oxo-1-phenyl-1,4-dihydro-quinolin-3-ylmethyl)-amide
Basic information
- Standard SMILES
O=C(NCc1cn(-c2ccccc2)c2cc(Cl)ccc2c1=O)c1cnc(N2CCCCC2)s1- InChIKey
QDQDITYYFFISBH-UHFFFAOYSA-N- Molecular formula
- C25H23ClN4O2S
- Average molar mass
- 479 g/mol
- Monoisotopic mass
- 478.1230249
Names & identifiers
- Preferred name
- 2-Piperidin-1-yl-thiazole-5-carboxylic acid (7-chloro-4-oxo-1-phenyl-1,4-dihydro-quinolin-3-ylmethyl)-amide
- IUPAC
- N-[(7-chloro-4-oxo-1-phenylquinolin-3-yl)methyl]-2-piperidin-1-yl-1,3-thiazole-5-carboxamide
Names & synonyms
CHEMBL3679510SCHEMBL14617130QDQDITYYFFISBH-UHFFFAOYSA-NBDBM100531US8501732, I-912-piperidin-1-yl-thiazole-5-carboxylic acid (7-chloro-4-oxo-1-phenyl-1,4-dihydro-quinolin-3-ylmethyl)-amide
Database identifiers
- PubChem CID
- 71217366
- ChEMBL
CHEMBL3679510
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 93.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 753
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Related reactions
2 records
Compound notes
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