Basic information
- CAS
68219-12-5- Standard SMILES
COc1cc(NCCCCCN)c2nccc(C)c2c1- InChIKey
XFISUZWDLWKNRV-UHFFFAOYSA-N- Molecular formula
- C16H23N3O
- Average molar mass
- 273.37 g/mol
- Monoisotopic mass
- 273.18411237
Overview
structure given in first source
Names & identifiers
- Preferred name
- 4-Methyl-6-methoxy-8-(1-pentamethyleneamino)aminoquinoline
- IUPAC
- N'-(6-methoxy-4-methylquinolin-8-yl)pentane-1,5-diamine
- English name
- 4-methyl-6-methoxy-8-(1-pentamethyleneamino)aminoquinoline
- Molecular formula
- C16H23N3O
- Molecular weight
- 273.37
Names & synonyms
4-Mmpaq68219-12-54-Methyl-6-methoxy-8-(1-pentamethyleneamino)aminoquinolineRefChem:998081,5-Pentanediamine, N-(6-methoxy-4-methyl-8-quinolinyl)-N'-(6-methoxy-4-methylquinolin-8-yl)pentane-1,5-diamineSCHEMBL8902067DTXSID50987731N~1~-(6-Methoxy-4-methylquinolin-8-yl)pentane-1,5-diamine1,5-Pentanediamine, N1-(6-methoxy-4-methyl-8-quinolinyl)-
Database identifiers
- CAS
68219-12-5- PubChem CID
- 129284
- DTXSID
DTXSID50987731
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 60.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 274
Physicochemical properties
- Boiling point
- 473 · 473.0±45.0 °C(Predicted)
- Density
- 1 · 1+-.0.06 g/cm3(Predicted)
- pka
- 10.56 · 10.56±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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