N-[4-(3-aminoisoquinolin-4-yl)phenyl]-2-[bis(2-chloroethyl)amino]acetamide
Basic information
- CAS
64157-47-7- Standard SMILES
Nc1ncc2ccccc2c1-c1ccc(NC(=O)CN(CCCl)CCCl)cc1- InChIKey
YSSFRXFMGRGXST-UHFFFAOYSA-N- Molecular formula
- C21H22Cl2N4O
- Average molar mass
- 417.3 g/mol
- Monoisotopic mass
- 416.1170667
Names & identifiers
- Preferred name
- N-[4-(3-aminoisoquinolin-4-yl)phenyl]-2-[bis(2-chloroethyl)amino]acetamide
- IUPAC
- N-[4-(3-aminoisoquinolin-4-yl)phenyl]-2-[bis(2-chloroethyl)amino]acetamide
Names & synonyms
64157-47-7NSC268483N-[4-(3-aminoisoquinolin-4-yl)phenyl]-2-[bis(2-chloroethyl)amino]acetamideCHEMBL3273441DTXSID80313286NSC-268483N-[4-(3-Aminoisoquinolin-4-yl)phenyl]-N~2~,N~2~-bis(2-chloroethyl)glycinamide
Database identifiers
- CAS
64157-47-7- PubChem CID
- 320514
- DTXSID
DTXSID80313286- ChEMBL
CHEMBL3273441
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 71.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 481
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Compound notes
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