Basic information
- CAS
74418-04-5- Standard SMILES
CCC1(O)C(=O)OCc2c1cc1n(c2=O)C(OC(C)=O)c2cc3ccccc3nc2-1- InChIKey
KRBKMNVFIZQBRR-UHFFFAOYSA-N- Molecular formula
- C22H18N2O6
- Average molar mass
- 406.4 g/mol
- Monoisotopic mass
- 406.1164863
Names & identifiers
- Preferred name
- 12-(Acetyloxy)-4-ethyl-4-hydroxy-1H-pyrano(3',4':6,7)indolizino(1,2-b)quinoline-3,14(4H,12H)-dione
- IUPAC
- (19-ethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-12-yl) acetate
Names & synonyms
74418-04-512-(Acetyloxy)-4-ethyl-4-hydroxy-1H-pyrano(3',4':6,7)indolizino(1,2-b)quinoline-3,14(4H,12H)-dioneDTXSID609959431H-Pyrano(3',4':6,7)indolizino(1,2-b)quinoline-3,14(4H,12H)-dione, 12-(acetyloxy)-4-ethyl-4-hydroxy-4-Ethyl-4-hydroxy-3,14-dioxo-3,4,12,14-tetrahydro-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinolin-12-yl acetate
Database identifiers
- CAS
74418-04-5- PubChem CID
- 150797
- DTXSID
DTXSID60995943
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 879
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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