2-[(2R)-4-[2-(2-fluoroanilino)-2-oxoethyl]-3-oxo-1,2-dihydroquinoxalin-2-yl]-N-(4-methylphenyl)acetamide

C25H23FN4O3 — CID 2134578

IUPAC2-[(2R)-4-[2-(2-fluoroanilino)-2-oxoethyl]-3-oxo-1,2-dihydroquinoxalin-2-yl]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)C[C@H]2Nc3ccccc3N(CC(=O)Nc3ccccc3F)C2=O)cc1
InChIInChI=1S/C25H23FN4O3/c1-16-10-12-17(13-11-16)27-23(31)14-21-25(33)30(22-9-5-4-8-20(22)28-21)15-24(32)29-19-7-3-2-6-18(19)26/h2-13,21,28H,14-15H2,1H3,(H,27,31)(H,29,32)/t21-/m1/s1
InChIKeyOZZQLUNNKVKADI-OAQYLSRUSA-N
MW446.48 g/mol
LogP3.93
Rot. Bonds6

About 2-[(2R)-4-[2-(2-fluoroanilino)-2-oxoethyl]-3-oxo-1,2-dihydroquinoxalin-2-yl]-N-(4-methylphenyl)acetamide

2-[(2R)-4-[2-(2-fluoroanilino)-2-oxoethyl]-3-oxo-1,2-dihydroquinoxalin-2-yl]-N-(4-methylphenyl)acetamide (PubChem CID 2134578) has the molecular formula C25H23FN4O3 and a molecular weight of 446.48 g/mol. Its IUPAC name is 2-[(2R)-4-[2-(2-fluoroanilino)-2-oxoethyl]-3-oxo-1,2-dihydroquinoxalin-2-yl]-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[(2R)-4-[2-(2-fluoroanilino)-2-oxoethyl]-3-oxo-1,2-dihydroquinoxalin-2-yl]-N-(4-methylphenyl)acetamide
PubChem CID2134578
Molecular FormulaC25H23FN4O3
Molecular Weight446.48 g/mol
Exact Mass446.18
IUPAC Name2-[(2R)-4-[2-(2-fluoroanilino)-2-oxoethyl]-3-oxo-1,2-dihydroquinoxalin-2-yl]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)C[C@H]2Nc3ccccc3N(CC(=O)Nc3ccccc3F)C2=O)cc1
InChIInChI=1S/C25H23FN4O3/c1-16-10-12-17(13-11-16)27-23(31)14-21-25(33)30(22-9-5-4-8-20(22)28-21)15-24(32)29-19-7-3-2-6-18(19)26/h2-13,21,28H,14-15H2,1H3,(H,27,31)(H,29,32)/t21-/m1/s1
InChIKeyOZZQLUNNKVKADI-OAQYLSRUSA-N
XLogP3.93
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.48
LogP ≤ 53.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-ethylphenyl)-2-(3-methyl-2-oxo-3,4-dihydroquinoxalin-1-yl)acetamide
CID 82156918
N-(2-fluorophenyl)-2-[3-hydroxy-3-(4-methylphenyl)-2-oxoindol-1-yl]acetamide
CID 53144139
2-[(2R)-6,7-dimethyl-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]-N-(2-fluorophenyl)acetamide
CID 776316
2-[(2S)-6,7-dimethyl-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]-N-(2-fluorophenyl)acetamide
CID 776317
N-(2-fluorophenyl)-2-[(3S)-2-oxo-3,4-dihydro-1,4-benzoxazin-3-yl]acetamide
CID 40933036
2-[(3aS,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-(4-methylphenyl)acetamide
CID 2666301
N-(2-fluorophenyl)-2-[(5S)-2-[2-(4-methylanilino)-2-oxoethyl]-4-oxo-1,3-thiazol-5-yl]acetamide
CID 7987486
2-[(2R,6R)-2,6-diethyl-3,5-dioxothiomorpholin-4-yl]-N-(2-fluorophenyl)acetamide
CID 2148300
N-(2-fluorophenyl)-2-[(4E)-4-[[2-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide
CID 126206852
2-(2,6-dimethyl-3,5-dioxothiomorpholin-4-yl)-N-(4-methylphenyl)acetamide
CID 3272624
N-(2,6-dimethylphenyl)-2-(3-methyl-2-oxo-3,4-dihydroquinoxalin-1-yl)acetamide
CID 82156922
2-[(1S,2S,6S,7S)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl]-N-(4-methylphenyl)acetamide
CID 6567246

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-4-[2-(2-fluoroanilino)-2-oxoethyl]-3-oxo-1,2-dihydroquinoxalin-2-yl]-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-[(2R)-4-[2-(2-fluoroanilino)-2-oxoethyl]-3-oxo-1,2-dihydroquinoxalin-2-yl]-N-(4-methylphenyl)acetamide (CID 2134578) is 2-[(2R)-4-[2-(2-fluoroanilino)-2-oxoethyl]-3-oxo-1,2-dihydroquinoxalin-2-yl]-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[(2R)-4-[2-(2-fluoroanilino)-2-oxoethyl]-3-oxo-1,2-dihydroquinoxalin-2-yl]-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[(2R)-4-[2-(2-fluoroanilino)-2-oxoethyl]-3-oxo-1,2-dihydroquinoxalin-2-yl]-N-(4-methylphenyl)acetamide is Cc1ccc(NC(=O)C[C@H]2Nc3ccccc3N(CC(=O)Nc3ccccc3F)C2=O)cc1.
What is the InChIKey of 2-[(2R)-4-[2-(2-fluoroanilino)-2-oxoethyl]-3-oxo-1,2-dihydroquinoxalin-2-yl]-N-(4-methylphenyl)acetamide?
The InChIKey is OZZQLUNNKVKADI-OAQYLSRUSA-N. The full InChI is InChI=1S/C25H23FN4O3/c1-16-10-12-17(13-11-16)27-23(31)14-21-25(33)30(22-9-5-4-8-20(22)28-21)15-24(32)29-19-7-3-2-6-18(19)26/h2-13,21,28H,14-15H2,1H3,(H,27,31)(H,29,32)/t21-/m1/s1.
What are the key properties of 2-[(2R)-4-[2-(2-fluoroanilino)-2-oxoethyl]-3-oxo-1,2-dihydroquinoxalin-2-yl]-N-(4-methylphenyl)acetamide?
2-[(2R)-4-[2-(2-fluoroanilino)-2-oxoethyl]-3-oxo-1,2-dihydroquinoxalin-2-yl]-N-(4-methylphenyl)acetamide has a molecular weight of 446.48 g/mol, XLogP of 3.93, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-4-[2-(2-fluoroanilino)-2-oxoethyl]-3-oxo-1,2-dihydroquinoxalin-2-yl]-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 2134578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).