1H-Pyrano[3',7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione, 11-chloro-4-ethyl-4-hydroxy-, (S)-
Basic information
- CAS
41646-05-3- Standard SMILES
CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1ccccc1c2Cl- InChIKey
KUAKYFCHUDSMNU-FQEVSTJZSA-N- Molecular formula
- C20H15ClN2O4
- Average molar mass
- 382.8 g/mol
- Monoisotopic mass
- 382.0720347
Names & identifiers
- Preferred name
- 1H-Pyrano[3',7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione, 11-chloro-4-ethyl-4-hydroxy-, (S)-
- IUPAC
- (19S)-10-chloro-19-ethyl-19-hydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaene-14,18-dione
Names & synonyms
NSC249910SCHEMBL5319306CHEMBL1970399DTXSID30961872NSC-249910NCI60_001992(4S)-11-Chloro-4-ethyl-4-hydroxy-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione1H-Pyrano[3',7]indolizino[1,2-b]quinoline-3,14(4H,12H)- dione, 11-chloro-4-ethyl-4-hydroxy-, (S)-
Database identifiers
- CAS
41646-05-3- PubChem CID
- 317560
- DTXSID
DTXSID30961872- ChEMBL
CHEMBL1970399
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 79.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 778
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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