ChemArche
Sign inAccount

Molecule record

6-[(3-chloro-2-fluorophenyl)methyl]-1-[(2S)-1-hydroxy-3-methylbutan-2-yl]-7-methoxy-4-oxoquinoline-3-carboxylic acid

C23H23ClFNO5

447.89 g/mol

Loading structure

Molecular properties

Formula
C23H23ClFNO5
Molar mass
447.89 g·mol−1
Exact mass
447.1249 Da
12
PubChem CID
5277135

Functional groups

Alcohol
Alkane / alkyl carbon
Aromatic ring
Aryl halide
Carboxylic acid
Ether

Physical properties

No source-backed physical properties are curated for this molecule yet.

Common names and synonyms

  • (S)-6-(3-chloro-2-fluorobenzyl)-1-(1-hydroxy-3-methylbutan-2-yl)-7-methoxy-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
  • 4GDQ854U53
  • 6-(3-chloro-2-fluorobenzyl)-1-[(2S)-1-hydroxy-3-methylbutan-2-yl]-7-methoxy-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
  • 691-248-4
  • 697761-98-1
  • CHEBI:72289
  • CHEMBL204656
  • DTXCID101506658
Show all 24 synonyms
  • DTXSID101021650
  • EVG
  • Elvitegravir
  • Elvitegravir (GS-9137, JTK-303)
  • GS-9137
  • GS9137
  • J05AX11
  • JTK-303
  • JTK303
  • MFCD11846134
  • RefChem:58903
  • STRIBILD COMPONENT ELVITEGRAVIR
  • UNII-4GDQ854U53
  • VITEKTA COMPONENT ELVITEGRAVIR
  • Vitekta
  • elvitegravirum

Structure identifiers

Canonical SMILES
COc1cc2c(cc1Cc1cccc(Cl)c1F)c(=O)c(C(=O)O)cn2[C@H](CO)C(C)C
Isomeric SMILES
CC(C)[C@@H](CO)N1C=C(C(=O)C2=C1C=C(C(=C2)CC3=C(C(=CC=C3)Cl)F)OC)C(=O)O
InChI
InChI=1S/C23H23ClFNO5/c1-12(2)19(11-27)26-10-16(23(29)30)22(28)15-8-14(20(31-3)9-18(15)26)7-13-5-4-6-17(24)21(13)25/h4-6,8-10,12,19,27H,7,11H2,1-3H3,(H,29,30)/t19-/m1/s1
InChIKey
JUZYLCPPVHEVSV-LJQANCHMSA-N
PubChem CID
5277135

Spectroscopy

Tabs appear only for spectra stored with clear provenance.

Open library
No redistributable or simulated spectroscopy record is attached yet.

Simulated NMR

On-demand educational prediction for 6-[(3-chloro-2-fluorophenyl)methyl]-1-[(2S)-1-hydroxy-3-methylbutan-2-yl]-7-methoxy-4-oxoquinoline-3-carboxylic acid; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for 6-[(3-chloro-2-fluorophenyl)methyl]-1-[(2S)-1-hydroxy-3-methylbutan-2-yl]-7-methoxy-4-oxoquinoline-3-carboxylic acid; not experimental data.

Sources

Molecule identity

Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.

PubChem(link only)
Open source record