Basic information
- CAS
106000-46-8- Standard SMILES
Cc1cc(=O)[nH]c2cc3c(cc12)OCCOCCOc1cc2[nH]c(=O)cc(C)c2cc1OCCOCCO3- InChIKey
RINIDWXHHKUIAI-UHFFFAOYSA-N- Molecular formula
- C28H30N2O8
- Average molar mass
- 522.5 g/mol
- Monoisotopic mass
- 522.20021592
Names & identifiers
- Preferred name
- (1,4,7,10,13,16)Hexaoxacyclooctadecino(2,3-g:12,11-g')diquinoline-2,15(1H,14H)-dione, 7,8,10,11,20,21,23,24-octahydro-4,17-dimethyl-
- IUPAC
- 15,32-dimethyl-2,5,8,19,22,25-hexaoxa-12,29-diazapentacyclo[24.8.0.09,18.011,16.028,33]tetratriaconta-1(26),9(18),10,14,16,27,31,33-octaene-13,30-dione
Names & synonyms
BRN 4831755(1,4,7,10,13,16)Hexaoxacyclooctadecino(2,3-g:12,11-g')diquinoline-2,15(1H,14H)-dione, 7,8,10,11,20,21,23,24-octahydro-4,17-dimethyl-106000-46-8DTXSID40147463trans-2,14-Dimethyl-2,16-dihydroxyquinolino(6,7-b;6-7-k)-18-crown-6RefChem:204364DTXCID10699544,17-dimethyl-7,8,10,11,20,21,23,24-octahydro[1,4,7,10,13,16]hexaoxacyclooctadecino[11,12-g:2,3-g']diquinoline-2,15(1h,14h)-dione
Database identifiers
- CAS
106000-46-8- PubChem CID
- 60067
- DTXSID
DTXSID40147463
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 114 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 0
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 835
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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