(5R)-5-ethyl-9-fluoro-5-hydroxy-12-pentyl-4,5,13,15-tetrahydro-1H,3H-oxepino[3',4':6,7]indolizino[1,2-b]quinoline-3,15-dione

HCID 69591007

Basic information

Standard SMILES
CCCCCc1c2c(nc3cc(F)ccc13)-c1cc3c(c(=O)n1C2)COC(=O)C[C@]3(O)CC
InChIKey
JENLCWZPJKHXHU-AREMUKBSSA-N
Molecular formula
C26H27FN2O4
Average molar mass
450.5 g/mol
Monoisotopic mass
450.19548551

Names & identifiers

Preferred name
(5R)-5-ethyl-9-fluoro-5-hydroxy-12-pentyl-4,5,13,15-tetrahydro-1H,3H-oxepino[3',4':6,7]indolizino[1,2-b]quinoline-3,15-dione
IUPAC
(20R)-20-ethyl-6-fluoro-20-hydroxy-10-pentyl-17-oxa-3,13-diazapentacyclo[11.9.0.02,11.04,9.015,21]docosa-1(22),2,4(9),5,7,10,15(21)-heptaene-14,18-dione

Names & synonyms

SCHEMBL5859887JENLCWZPJKHXHU-AREMUKBSSA-N(5R)-5-ethyl-9-fluoro-5-hydroxy-12-pentyl-4,5,13,15-tetrahydro-1H,3H-oxepino[3',4':6,7]indolizino[1,2-b]quinoline-3,15-dione

Database identifiers

PubChem CID
69591007

Properties

Computed structural properties

XLogP
3.2
Topological polar surface area
79.7 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
5
Heavy atoms
33

Related reactions

3 records

Compound notes

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