1-N,1-N-diethyl-4-N-(8-methoxy-3-methylquinolin-4-yl)pentane-1,4-diamine
Basic information
- CAS
5442-95-5- Standard SMILES
CCN(CC)CCCC(C)Nc1c(C)cnc2c(OC)cccc12- InChIKey
CNKVVSRAKNUCQY-UHFFFAOYSA-N- Molecular formula
- C20H31N3O
- Average molar mass
- 329.5 g/mol
- Monoisotopic mass
- 329.24671262
Names & identifiers
- Preferred name
- 1-N,1-N-diethyl-4-N-(8-methoxy-3-methylquinolin-4-yl)pentane-1,4-diamine
- IUPAC
- 1-N,1-N-diethyl-4-N-(8-methoxy-3-methylquinolin-4-yl)pentane-1,4-diamine
Names & synonyms
NSC134585442-95-5NSC-13458
Database identifiers
- CAS
5442-95-5- PubChem CID
- 224731
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 37.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 348
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Compound notes
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