1,3-Propanediamine, N'-(2-methoxy-1-nitro-9-acridinyl)-N,N-dimethyl-
Basic information
- CAS
112428-80-5- Standard SMILES
COc1ccc2nc3ccccc3c(NCCCN(C)C)c2c1[N+](=O)[O-]- InChIKey
YQAUNOAVZPAGQA-UHFFFAOYSA-N- Molecular formula
- C19H22N4O3
- Average molar mass
- 354.4 g/mol
- Monoisotopic mass
- 354.16919058
Names & identifiers
- Preferred name
- 1,3-Propanediamine, N'-(2-methoxy-1-nitro-9-acridinyl)-N,N-dimethyl-
- IUPAC
- N-(2-methoxy-1-nitroacridin-9-yl)-N',N'-dimethylpropane-1,3-diamine
Names & synonyms
NSC662556112428-80-51,3-Propanediamine, N'-(2-methoxy-1-nitro-9-acridinyl)-N,N-dimethyl-1-Nitro-2-methoxy-9-(3-dimethylaminopropyl)aminoacridine DihydrochlorideCHEMBL313535DTXSID20327509N-(2-methoxy-1-nitro-acridin-9-yl)-N',N'-dimethyl-propane-1,3-diamine9-((3-(Dimethylamino)propyl)amino)-1-(hydroxy(oxido)amino)-2-methoxyacridine hydrochlorideN~3~-(2-Methoxy-1-nitroacridin-9-yl)-N~1~,N~1~-dimethylpropane-1,3-diamine
Database identifiers
- CAS
112428-80-5- PubChem CID
- 378963
- DTXSID
DTXSID20327509- ChEMBL
CHEMBL313535- Nikkaji
- J751.421B
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 83.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 470
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Compound notes
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