Basic information
- CAS
106000-47-9- Standard SMILES
Cc1cc(=O)[nH]c2cc3c(cc12)OCCOCCOc1cc2c(C)cc(=O)[nH]c2cc1OCCOCCO3- InChIKey
DMTCCJMOYRILJA-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:11,12-g')diquinoline-2,16(1H,17H)-dione, 7,8,10,11,20,21,23,24-octahydro-4,14-dimethyl-
- IUPAC
- 15,29-dimethyl-2,5,8,19,22,25-hexaoxa-12,32-diazapentacyclo[24.8.0.09,18.011,16.028,33]tetratriaconta-1(26),9(18),10,14,16,27,29,33-octaene-13,31-dione
Names & synonyms
BRN 4831445(1,4,7,10,13,16)Hexaoxacyclooctadecino(2,3-g:11,12-g')diquinoline-2,16(1H,17H)-dione, 7,8,10,11,20,21,23,24-octahydro-4,14-dimethyl-106000-47-9DTXSID00147464cis-2,14-Dimethyl-2,16-dihydroxyquinolino(6,7-b;6,7-k)-18-crown-6RefChem:204363DTXCID60699554,14-dimethyl-7,8,10,11,20,21,23,24-octahydro[1,4,7,10,13,16]hexaoxacyclooctadecino[11,12-g:3,2-g']diquinoline-2,16(1h,17h)-dione
Database identifiers
- CAS
106000-47-9- PubChem CID
- 60068
- DTXSID
DTXSID00147464- Nikkaji
- J430.488H
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
- 837
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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