Basic information
- Standard SMILES
CN(C)CCCNc1ccnc2c(COC(=O)N(CCCl)CCCl)ccc([N+](=O)[O-])c12- InChIKey
OEZLDAMCPQSGPA-UHFFFAOYSA-N- Molecular formula
- C20H27Cl2N5O4
- Average molar mass
- 472.4 g/mol
- Monoisotopic mass
- 471.1440097
Names & identifiers
- Preferred name
- [4-[3-(dimethylamino)propylamino]-5-nitroquinolin-8-yl]methyl N,N-bis(2-chloroethyl)carbamate
- IUPAC
- [4-[3-(dimethylamino)propylamino]-5-nitroquinolin-8-yl]methyl N,N-bis(2-chloroethyl)carbamate
Database identifiers
- PubChem CID
- 381237
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 12
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 560
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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