Basic information
- CAS
74440-58-7- Standard SMILES
CC(C)N(Cc1cc([N+](=O)[O-])c2cccnc2c1O)C(C)C- InChIKey
LOUDUIYYHMLTBW-UHFFFAOYSA-N- Molecular formula
- C16H21N3O3
- Average molar mass
- 303.36 g/mol
- Monoisotopic mass
- 303.15829154
Names & identifiers
- Preferred name
- 7-((Bis(1-methylethyl)amino)methyl)-5-nitro-8-quinolinol
- IUPAC
- 7-[[di(propan-2-yl)amino]methyl]-5-nitroquinolin-8-ol
Names & synonyms
74440-58-77-((Bis(1-methylethyl)amino)methyl)-5-nitro-8-quinolinolSCHEMBL4467606DTXSID609959638-Quinolinol, 7-((bis(1-methylethyl)amino)methyl)-5-nitro-7-{[Di(propan-2-yl)amino]methyl}-5-nitroquinolin-8-ol
Database identifiers
- CAS
74440-58-7- PubChem CID
- 150802
- DTXSID
DTXSID60995963
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 82.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 375
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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