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Basic information
- Standard SMILES
CC(=O)NCc1ccc(CN(Cc2ncc(Cl)cc2C)C2CCCc3cccnc32)c(CO)c1- InChIKey
JCAKJDMYCJJUTO-UHFFFAOYSA-N- Molecular formula
- C27H31ClN4O2
- Average molar mass
- 479 g/mol
Names & identifiers
- Preferred name
- N-(4-{[(5-chloro-3-methyl-pyridin-2-ylmethyl)-(5,6,7,8-tetrahydro-quinolin-8-yl)-amino]-methyl}-3-hydroxymethyl-benzyl)-acetamide
- IUPAC
- N-[[4-[[(5-chloro-3-methyl-2-pyridinyl)methyl-(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]-3-(hydroxymethyl)phenyl]methyl]acetamide
Names & synonyms
SCHEMBL2085312JCAKJDMYCJJUTO-UHFFFAOYSA-NN-(4-{[(5-chloro-3-methyl-pyridin-2-ylmethyl)-(5,6,7,8-tetrahydro-quinolin-8-yl)-amino]-methyl}-3-hydroxymethyl-benzyl)-acetamide
Database identifiers
- PubChem CID
- 67272829
Properties
Computed structural propertiesFilling in
- XLogP
- 2.7
- Topological polar surface area
- 78.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 652
Related reactions
3 records
Compound notes
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