N-((5-(2-Hydroxyethylamino)-1-(2-methyl-4-phenylthiazole-5-carbonyl)piperidin-2-yl)methyl)quinoline-8-carboxamide
Basic information
- Standard SMILES
Cc1nc(-c2ccccc2)c(C(=O)N2CC(NCCO)CCC2CNC(=O)c2cccc3cccnc23)s1- InChIKey
AXRHGYITDQXUJP-UHFFFAOYSA-N- Molecular formula
- C29H31N5O3S
- Average molar mass
- 529.7 g/mol
Names & identifiers
- Preferred name
- N-((5-(2-Hydroxyethylamino)-1-(2-methyl-4-phenylthiazole-5-carbonyl)piperidin-2-yl)methyl)quinoline-8-carboxamide
- IUPAC
- N-[[5-(2-hydroxyethylamino)-1-(2-methyl-4-phenyl-1,3-thiazole-5-carbonyl)piperidin-2-yl]methyl]quinoline-8-carboxamide
Names & synonyms
CHEMBL5867529SCHEMBL15174167AXRHGYITDQXUJP-UHFFFAOYSA-NN-((5-(2-Hydroxyethylamino)-1-(2-methyl-4-phenylthiazole-5-carbonyl)piperidin-2-yl)methyl)quinoline-8-carboxamide
Database identifiers
- PubChem CID
- 71715331
- ChEMBL
CHEMBL5867529
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 136 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 796
Related reactions
1 records
Compound notes
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