Molecular properties
- Formula
- C22H18FN7O
- Molar mass
- 415.43 g·mol−1
- Exact mass
- 415.1557 Da
- 17
- PubChem CID
- 11625818
Molecule record
5-fluoro-3-phenyl-2-[(1S)-1-(7H-purin-6-ylamino)propyl]quinazolin-4-one
C22H18FN7O
415.43 g/mol
Loading structure
Functional groups
Alkane / alkyl carbon
Aromatic ring
Aryl halide
Secondary amine
Physical properties
No source-backed physical properties are curated for this molecule yet.
Common names and synonyms
- (S)-2-(1-((9H-Purin-6-yl)amino)propyl)-5-fluoro-3-phenylquinazolin-4(3H)-one
- 5-FLUORO-3-PHENYL-2-[(1S)-1-(9H-PURIN-6-YLAMINO)PROPYL]-4(3H)-QUINAZOLINONE
- 5-Fluoro-3-phenyl-2-((S)-1-(9H-purin-6-ylamino)-propyl)-3H-quinazolin-4-one
- 5-fluoro-3-phenyl-2-[(1S)-1-(3H-purin-6-ylamino)propyl]quinazolin-4(3H)-one
- 5-fluoro-3-phenyl-2-[(1S)-1-[(9H-purin-6-yl)amino]propyl]-3,4-dihydroquinazolin-4-one
- 870281-82-6
- C22H18FN7O
- CAL-101
Show all 24 synonyms
- CAL-101 (Idelalisib, GS-1101)
- CAL101
- CHEBI:82701
- DTXCID901434124
- DTXSID701007266
- GS-1101
- IDELALISIB [JAN]
- Idelalisib
- Idelalisib (CAL-101)
- L01XX47
- MFCD19443647
- Phosphoinositide-3 Kinase Delta Inhibitor CAL-101
- RefChem:58018
- YG57I8T5M0
- Zydelig
- idelalisibum
Structure identifiers
- Canonical SMILES
- CC[C@H](Nc1ncnc2nc[nH]c12)c1nc2cccc(F)c2c(=O)n1-c1ccccc1
- Isomeric SMILES
- CC[C@@H](C1=NC2=C(C(=CC=C2)F)C(=O)N1C3=CC=CC=C3)NC4=NC=NC5=C4NC=N5
- InChI
- InChI=1S/C22H18FN7O/c1-2-15(28-20-18-19(25-11-24-18)26-12-27-20)21-29-16-10-6-9-14(23)17(16)22(31)30(21)13-7-4-3-5-8-13/h3-12,15H,2H2,1H3,(H2,24,25,26,27,28)/t15-/m0/s1
- InChIKey
- IFSDAJWBUCMOAH-HNNXBMFYSA-N
- PubChem CID
- 11625818
Spectroscopy
Tabs appear only for spectra stored with clear provenance.
No redistributable or simulated spectroscopy record is attached yet.
Simulated NMR
On-demand educational prediction for 5-fluoro-3-phenyl-2-[(1S)-1-(7H-purin-6-ylamino)propyl]quinazolin-4-one; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for 5-fluoro-3-phenyl-2-[(1S)-1-(7H-purin-6-ylamino)propyl]quinazolin-4-one; not experimental data.
Sources
Molecule identity
Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.