[(2S)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl] (3R)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxylate

C22H20FN3O5 — CID 27507610

IUPAC[(2S)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl] (3R)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxylate
SMILESC[C@H](OC(=O)[C@@H]1CC(=O)N(c2ccccc2F)C1)C(=O)N1CC(=O)Nc2ccccc21
InChIInChI=1S/C22H20FN3O5/c1-13(21(29)26-12-19(27)24-16-7-3-5-9-18(16)26)31-22(30)14-10-20(28)25(11-14)17-8-4-2-6-15(17)23/h2-9,13-14H,10-12H2,1H3,(H,24,27)/t13-,14+/m0/s1
InChIKeyUNJZWSOWYTULNZ-UONOGXRCSA-N
MW425.42 g/mol
LogP2.10
Rot. Bonds4

About [(2S)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl] (3R)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxylate

[(2S)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl] (3R)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxylate (PubChem CID 27507610) has the molecular formula C22H20FN3O5 and a molecular weight of 425.42 g/mol. Its IUPAC name is [(2S)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl] (3R)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxylate.

Molecular Properties

Compound Name[(2S)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl] (3R)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxylate
PubChem CID27507610
Molecular FormulaC22H20FN3O5
Molecular Weight425.42 g/mol
Exact Mass425.14
IUPAC Name[(2S)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl] (3R)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxylate
SMILESC[C@H](OC(=O)[C@@H]1CC(=O)N(c2ccccc2F)C1)C(=O)N1CC(=O)Nc2ccccc21
InChIInChI=1S/C22H20FN3O5/c1-13(21(29)26-12-19(27)24-16-7-3-5-9-18(16)26)31-22(30)14-10-20(28)25(11-14)17-8-4-2-6-15(17)23/h2-9,13-14H,10-12H2,1H3,(H,24,27)/t13-,14+/m0/s1
InChIKeyUNJZWSOWYTULNZ-UONOGXRCSA-N
XLogP2.10
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.42
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(2S)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl] (3R)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1-amino-1-oxopropan-2-yl) 1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxylate
CID 154774254
[(2R)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl] 2-(2-fluorophenyl)acetate
CID 8958195
[(2S)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl] 2-(2-fluorophenyl)acetate
CID 8958193
[(2R)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl] (1S,5R)-9-oxobicyclo[3.3.1]nonane-3-carboxylate
CID 8738569
[1-(4-acetamidoanilino)-1-oxopropan-2-yl] 1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxylate
CID 42915881
methyl (3S)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxylate
CID 94075738
[(2R)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl] 3-fluoro-4-methylbenzoate
CID 9387141
[(2R)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl] 1-(phenylcarbamoyl)piperidine-4-carboxylate
CID 27449686
4-[(2R)-2-(3,4-difluorophenoxy)propanoyl]-1,3-dihydroquinoxalin-2-one
CID 8578040
[(2R)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl] 2-amino-4-fluorobenzoate
CID 27998213
[(2S)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl] 3-methyl-1,2-oxazole-5-carboxylate
CID 9383608
4-[(2S)-2-(2-bromo-4-fluorophenoxy)propanoyl]-1,3-dihydroquinoxalin-2-one
CID 8728680

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl] (3R)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxylate?
The IUPAC name of [(2S)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl] (3R)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxylate (CID 27507610) is [(2S)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl] (3R)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxylate.
What is the SMILES notation for [(2S)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl] (3R)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxylate?
The canonical SMILES for [(2S)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl] (3R)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxylate is C[C@H](OC(=O)[C@@H]1CC(=O)N(c2ccccc2F)C1)C(=O)N1CC(=O)Nc2ccccc21.
What is the InChIKey of [(2S)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl] (3R)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxylate?
The InChIKey is UNJZWSOWYTULNZ-UONOGXRCSA-N. The full InChI is InChI=1S/C22H20FN3O5/c1-13(21(29)26-12-19(27)24-16-7-3-5-9-18(16)26)31-22(30)14-10-20(28)25(11-14)17-8-4-2-6-15(17)23/h2-9,13-14H,10-12H2,1H3,(H,24,27)/t13-,14+/m0/s1.
What are the key properties of [(2S)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl] (3R)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxylate?
[(2S)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl] (3R)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxylate has a molecular weight of 425.42 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl] (3R)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxylate is sourced from PubChem (CID 27507610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).