Basic information
- Standard SMILES
CN(Cc1ccc2c(c1)c(=O)c(C(=O)NCc1ccc(Cl)cc1)cn2C)CC(O)c1ccc(O)cc1- InChIKey
PCPWWLCZBAEZNJ-UHFFFAOYSA-N- Molecular formula
- C28H28ClN3O4
- Average molar mass
- 506 g/mol
Names & identifiers
- Preferred name
- N-[(4-chlorophenyl)methyl]-6-[[[2-hydroxy-2-(4-hydroxyphenyl)ethyl]-methyl-amino]methyl]-1-methyl-4-oxo-quinoline-3-carboxamide
- IUPAC
- N-[(4-chlorophenyl)methyl]-6-[[[2-hydroxy-2-(4-hydroxyphenyl)ethyl]-methylamino]methyl]-1-methyl-4-oxoquinoline-3-carboxamide
Names & synonyms
SCHEMBL6694475PCPWWLCZBAEZNJ-UHFFFAOYSA-N3-Quinolinecarboxamide, N-[(4-chlorophenyl)methyl]-1,4-dihydro-6-[[[2-hydroxy-2-(4-hydroxyphenyl)ethyl]methylamino]methyl]-1-methyl-4-oxo-N-(4-Chlorobenzyl)-6-([(2-hydroxy-2-[4-hydroxyphenyl]-ethyl) [methyl]amino]methyl)-1-methyl-4-oxo-1,4-dihydro-3-quinolinecarboxamideN-[(4-chlorophenyl)methyl]-6-[[[2-hydroxy-2-(4-hydroxyphenyl)ethyl]-methyl-amino]methyl]-1-methyl-4-oxo-quinoline-3-carboxamide
Database identifiers
- PubChem CID
- 9849068
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 93.1 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 792
Related reactions
2 records
Compound notes
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