N-(2,4-dimethylphenyl)-2-[(2S)-1-[(2-fluorophenyl)methyl]-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide

C25H24FN3O2 — CID 8024059

IUPACN-(2,4-dimethylphenyl)-2-[(2S)-1-[(2-fluorophenyl)methyl]-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide
SMILESCc1ccc(NC(=O)C[C@H]2C(=O)Nc3ccccc3N2Cc2ccccc2F)c(C)c1
InChIInChI=1S/C25H24FN3O2/c1-16-11-12-20(17(2)13-16)27-24(30)14-23-25(31)28-21-9-5-6-10-22(21)29(23)15-18-7-3-4-8-19(18)26/h3-13,23H,14-15H2,1-2H3,(H,27,30)(H,28,31)/t23-/m0/s1
InChIKeyQFLPGPMASTWBAG-QHCPKHFHSA-N
MW417.48 g/mol
LogP4.80
Rot. Bonds5

About N-(2,4-dimethylphenyl)-2-[(2S)-1-[(2-fluorophenyl)methyl]-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide

N-(2,4-dimethylphenyl)-2-[(2S)-1-[(2-fluorophenyl)methyl]-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide (PubChem CID 8024059) has the molecular formula C25H24FN3O2 and a molecular weight of 417.48 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-2-[(2S)-1-[(2-fluorophenyl)methyl]-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-2-[(2S)-1-[(2-fluorophenyl)methyl]-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide
PubChem CID8024059
Molecular FormulaC25H24FN3O2
Molecular Weight417.48 g/mol
Exact Mass417.19
IUPAC NameN-(2,4-dimethylphenyl)-2-[(2S)-1-[(2-fluorophenyl)methyl]-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide
SMILESCc1ccc(NC(=O)C[C@H]2C(=O)Nc3ccccc3N2Cc2ccccc2F)c(C)c1
InChIInChI=1S/C25H24FN3O2/c1-16-11-12-20(17(2)13-16)27-24(30)14-23-25(31)28-21-9-5-6-10-22(21)29(23)15-18-7-3-4-8-19(18)26/h3-13,23H,14-15H2,1-2H3,(H,27,30)(H,28,31)/t23-/m0/s1
InChIKeyQFLPGPMASTWBAG-QHCPKHFHSA-N
XLogP4.80
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.48
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methylphenyl)-2-[(2R)-3-oxo-1-prop-2-enyl-2,4-dihydroquinoxalin-2-yl]acetamide
CID 25393557
N-(2,4-dimethylphenyl)-2-[(2R)-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]acetamide
CID 702403
N-(2,4-dimethylphenyl)-2-[1-[2-[4-(2-fluorophenyl)piperazin-1-yl]acetyl]-3-oxopiperazin-2-yl]acetamide
CID 43832397
2-[1-[4-(acetamidomethyl)phenyl]sulfonyl-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-(2,4-dimethylphenyl)acetamide
CID 42912899
N-(4-methylphenyl)-2-[(2S)-3-oxo-1-(1,3-thiazol-4-ylmethyl)-2,4-dihydroquinoxalin-2-yl]acetamide
CID 41141661
2-[1-(benzenesulfonyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-(4-methyl-2-nitrophenyl)acetamide
CID 21204405
N-(2-methoxy-4-nitrophenyl)-2-[(2R)-1-[2-(4-methylanilino)-2-oxoethyl]-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide
CID 26888149
N-(2,4-dimethylphenyl)-1-[(2-fluorophenyl)methyl]piperidine-4-carboxamide
CID 45008142
N-(2-fluoro-4-methylphenyl)-2-(2-oxo-1,3-dihydroimidazo[1,2-a]benzimidazol-1-yl)acetamide
CID 135646863
(2-fluorophenyl)methyl N-(2,4-dimethylphenyl)carbamate
CID 127520358
N-(4-fluoro-2-methylphenyl)-2-(2-oxo-1,3-dihydroindol-3-yl)acetamide
CID 86867543
N-(2,5-dimethylphenyl)-2-(2-fluorophenyl)acetamide
CID 2596673

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-2-[(2S)-1-[(2-fluorophenyl)methyl]-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide?
The IUPAC name of N-(2,4-dimethylphenyl)-2-[(2S)-1-[(2-fluorophenyl)methyl]-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide (CID 8024059) is N-(2,4-dimethylphenyl)-2-[(2S)-1-[(2-fluorophenyl)methyl]-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-2-[(2S)-1-[(2-fluorophenyl)methyl]-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-2-[(2S)-1-[(2-fluorophenyl)methyl]-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide is Cc1ccc(NC(=O)C[C@H]2C(=O)Nc3ccccc3N2Cc2ccccc2F)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-2-[(2S)-1-[(2-fluorophenyl)methyl]-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide?
The InChIKey is QFLPGPMASTWBAG-QHCPKHFHSA-N. The full InChI is InChI=1S/C25H24FN3O2/c1-16-11-12-20(17(2)13-16)27-24(30)14-23-25(31)28-21-9-5-6-10-22(21)29(23)15-18-7-3-4-8-19(18)26/h3-13,23H,14-15H2,1-2H3,(H,27,30)(H,28,31)/t23-/m0/s1.
What are the key properties of N-(2,4-dimethylphenyl)-2-[(2S)-1-[(2-fluorophenyl)methyl]-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide?
N-(2,4-dimethylphenyl)-2-[(2S)-1-[(2-fluorophenyl)methyl]-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide has a molecular weight of 417.48 g/mol, XLogP of 4.80, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-2-[(2S)-1-[(2-fluorophenyl)methyl]-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide is sourced from PubChem (CID 8024059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).