Basic information
- Standard SMILES
NC(=O)N1CCCCC(NC(=O)N2CCN(c3cc(N)nc4cc(Cl)ccc34)CC2)C1=O- InChIKey
YTDZWNYIUUBHEI-UHFFFAOYSA-N- Molecular formula
- C21H26ClN7O3
- Average molar mass
- 459.9 g/mol
- Monoisotopic mass
- 459.1785654
Names & identifiers
- Preferred name
- 3-[[4-(2-Amino-7-chloroquinolin-4-yl)piperazine-1-carbonyl]amino]-2-oxoazepane-1-carboxamide
- IUPAC
- 3-[[4-(2-amino-7-chloroquinolin-4-yl)piperazine-1-carbonyl]amino]-2-oxoazepane-1-carboxamide
Names & synonyms
SCHEMBL6277032
Database identifiers
- PubChem CID
- 21101516
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 138 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 718
Related reactions
1 records
Compound notes
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