(s,s)-(-)-n,n'-Di-5'-[5',6',7',8'-tetrahydro-2'(1'h)-quinolynyl]-1,10-diaminodecane dihydrochloride
Basic information
- CAS
286381-86-0- Standard SMILES
O=c1ccc2c([nH]1)CCC[C@@H]2NCCCCCCCCCCN[C@H]1CCCc2[nH]c(=O)ccc21- InChIKey
CKFAWHBPSZAYLS-ZEQRLZLVSA-N- Molecular formula
- C28H42N4O2
- Average molar mass
- 466.7 g/mol
- Monoisotopic mass
- 466.3307766
Names & identifiers
- Preferred name
- (s,s)-(-)-n,n'-Di-5'-[5',6',7',8'-tetrahydro-2'(1'h)-quinolynyl]-1,10-diaminodecane dihydrochloride
- IUPAC
- (5S)-5-[10-[[(5S)-2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl]amino]decylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one
Names & synonyms
(S,S)-(-)-bis(10)-hupyridone(s,s)-(-)-n,n'-di-5'-[5',6',7',8'-tetrahydro- 2'(1'h)-quinolynyl]-1,10-diaminodecane dihydrochlorideE10CHEMBL483090BDBM104391h22DTXSID601131236(5S)-5-[(10-{[(5S)-2-oxo-1,2,5,6,7,8-hexahydroquinolin-5-yl]amino}decyl)amino]-1,2,5,6,7,8-hexahydroquinolin-2-one286381-86-0Q27459808(5S,5'S)-5,5'-(decane-1,10-diyldiimino)di(5,6,7,8-tetrahydroquinolin-2(1H)-one)(5S,5'S)-5,5'-[Decane-1,10-diylbis(azanediyl)]di(5,6,7,8-tetrahydroquinolin-2(1H)-one)
Show more names
2(1H)-Quinolinone, 5,5a(2)-(1,10-decanediyldiimino)bis[5,6,7,8-tetrahydro-, (5S,5a(2)S)-
Database identifiers
- CAS
286381-86-0- PubChem CID
- 445974
- DTXSID
DTXSID601131236- ChEMBL
CHEMBL483090- Nikkaji
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 82.3 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 13
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 784
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