1,3-Propanediamine, N,N-dimethyl-N'-(8-methyl-5-nitro-4-quinolinyl)-
Basic information
- CAS
145363-53-7- Standard SMILES
Cc1ccc([N+](=O)[O-])c2c(NCCCN(C)C)ccnc12- InChIKey
UQSMDQGHUADVPF-UHFFFAOYSA-N- Molecular formula
- C15H20N4O2
- Average molar mass
- 288.34 g/mol
- Monoisotopic mass
- 288.15862589
Names & identifiers
- Preferred name
- 1,3-Propanediamine, N,N-dimethyl-N'-(8-methyl-5-nitro-4-quinolinyl)-
- IUPAC
- N',N'-dimethyl-N-(8-methyl-5-nitroquinolin-4-yl)propane-1,3-diamine
Names & synonyms
145363-53-71,3-Propanediamine, N,N-dimethyl-N'-(8-methyl-5-nitro-4-quinolinyl)-NCI60_013011CHEMBL29101DTXSID70327251N~1~,N~1~-Dimethyl-N~3~-(8-methyl-5-nitroquinolin-4-yl)propane-1,3-diamine
Database identifiers
- CAS
145363-53-7- PubChem CID
- 368345
- DTXSID
DTXSID70327251- ChEMBL
CHEMBL29101- Nikkaji
- J527.783C
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 74 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 345
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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