Basic information
- Standard SMILES
CC(=O)N1c2ccc(-c3ccc(C(=O)NCCO)cc3)cc2[C@H](Nc2ccc(C#N)cn2)C[C@@H]1C- InChIKey
XDUVPKMBCMRRGT-BXKMTCNYSA-N- Molecular formula
- C27H27N5O3
- Average molar mass
- 469.5 g/mol
Names & identifiers
- Preferred name
- 4-((2S,4R)-1-acetyl-4-((5-cyanopyridin-2-yl)amino)-2-methyl-1,2,3,4-tetrahydroquinolin-6-yl)-N-(2-hydroxyethyl)benzamide
- IUPAC
- 4-[(2S,4R)-1-acetyl-4-[(5-cyano-2-pyridinyl)amino]-2-methyl-3,4-dihydro-2H-quinolin-6-yl]-N-(2-hydroxyethyl)benzamide
Names & synonyms
SCHEMBL15437381XDUVPKMBCMRRGT-BXKMTCNYSA-N4-((2S,4R)-1-acetyl-4-((5-cyanopyridin-2-yl)amino)-2-methyl-1,2,3,4-tetrahydroquinolin-6-yl)-N-(2-hydroxyethyl)benzamide
Database identifiers
- PubChem CID
- 71467602
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 789
Related reactions
1 records
Compound notes
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