N-({5-[(7-Chloroquinolin-4-yl)amino]-2-hydroxyphenyl}methyl)-N-ethyl-4-methylpiperazine-1-carboxamide
Basic information
- CAS
79352-86-6- Standard SMILES
CCN(Cc1cc(Nc2ccnc3cc(Cl)ccc23)ccc1O)C(=O)N1CCN(C)CC1- InChIKey
BIKCXBLIECXBNY-UHFFFAOYSA-N- Molecular formula
- C24H28ClN5O2
- Average molar mass
- 454 g/mol
- Monoisotopic mass
- 453.1931528
Names & identifiers
- Preferred name
- N-({5-[(7-Chloroquinolin-4-yl)amino]-2-hydroxyphenyl}methyl)-N-ethyl-4-methylpiperazine-1-carboxamide
- IUPAC
- N-[[5-[(7-chloroquinolin-4-yl)amino]-2-hydroxyphenyl]methyl]-N-ethyl-4-methylpiperazine-1-carboxamide
Names & synonyms
79352-86-6NSC357891CHEMBL35537DTXSID60320317NSC-357891N-({5-[(7-Chloroquinolin-4-yl)amino]-2-hydroxyphenyl}methyl)-N-ethyl-4-methylpiperazine-1-carboxamide
Database identifiers
- CAS
79352-86-6- PubChem CID
- 337886
- DTXSID
DTXSID60320317- ChEMBL
CHEMBL35537
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 71.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 617
Experimental & physicochemical properties
LogP3.43
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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