2,3-dimethyl-4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanoic acid

C14H16N2O4 — CID 103495892

IUPAC2,3-dimethyl-4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanoic acid
SMILESCC(C(=O)O)C(C)C(=O)N1CC(=O)Nc2ccccc21
InChIInChI=1S/C14H16N2O4/c1-8(9(2)14(19)20)13(18)16-7-12(17)15-10-5-3-4-6-11(10)16/h3-6,8-9H,7H2,1-2H3,(H,15,17)(H,19,20)
InChIKeyJCWQLXBNFDDTBR-UHFFFAOYSA-N
MW276.29 g/mol
LogP1.33
Rot. Bonds3

About 2,3-dimethyl-4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanoic acid

2,3-dimethyl-4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanoic acid (PubChem CID 103495892) has the molecular formula C14H16N2O4 and a molecular weight of 276.29 g/mol. Its IUPAC name is 2,3-dimethyl-4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanoic acid.

Molecular Properties

Compound Name2,3-dimethyl-4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanoic acid
PubChem CID103495892
Molecular FormulaC14H16N2O4
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC Name2,3-dimethyl-4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanoic acid
SMILESCC(C(=O)O)C(C)C(=O)N1CC(=O)Nc2ccccc21
InChIInChI=1S/C14H16N2O4/c1-8(9(2)14(19)20)13(18)16-7-12(17)15-10-5-3-4-6-11(10)16/h3-6,8-9H,7H2,1-2H3,(H,15,17)(H,19,20)
InChIKeyJCWQLXBNFDDTBR-UHFFFAOYSA-N
XLogP1.33
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-bromopropanoyl)-1,3-dihydroquinoxalin-2-one
CID 107902910
4-[(2S)-2-bromo-3-methylbutanoyl]-1,3-dihydroquinoxalin-2-one
CID 28822186
4-[(2S)-2-(benzhydrylamino)propanoyl]-1,3-dihydroquinoxalin-2-one
CID 8596462
4-[(2R)-2-(azepan-1-yl)propanoyl]-1,3-dihydroquinoxalin-2-one
CID 26613483
[(2S)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl]urea
CID 95040569
[2-(cyclopropylamino)-2-oxoethyl]-methyl-[(2S)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl]azanium
CID 8911016
4-[(2S)-2-amino-3,3-dimethylbutanoyl]-1,3-dihydroquinoxalin-2-one
CID 61148811
4-[(2R)-2-phenoxybutanoyl]-1,3-dihydroquinoxalin-2-one
CID 40747048
4-[2-(4-methyl-3-oxopiperazin-1-yl)propanoyl]-1,3-dihydroquinoxalin-2-one
CID 154861557
4-[(2R)-2-[[(S)-(4-methylphenyl)-phenylmethyl]amino]propanoyl]-1,3-dihydroquinoxalin-2-one
CID 8641144
4-ethanimidoyl-1,3-dihydroquinoxalin-2-one
CID 63172914
4-[(2S)-2-[[(1S)-1-(2-methylphenyl)ethyl]amino]propanoyl]-1,3-dihydroquinoxalin-2-one
CID 26630905

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanoic acid?
The IUPAC name of 2,3-dimethyl-4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanoic acid (CID 103495892) is 2,3-dimethyl-4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanoic acid.
What is the SMILES notation for 2,3-dimethyl-4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanoic acid?
The canonical SMILES for 2,3-dimethyl-4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanoic acid is CC(C(=O)O)C(C)C(=O)N1CC(=O)Nc2ccccc21.
What is the InChIKey of 2,3-dimethyl-4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanoic acid?
The InChIKey is JCWQLXBNFDDTBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4/c1-8(9(2)14(19)20)13(18)16-7-12(17)15-10-5-3-4-6-11(10)16/h3-6,8-9H,7H2,1-2H3,(H,15,17)(H,19,20).
What are the key properties of 2,3-dimethyl-4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanoic acid?
2,3-dimethyl-4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanoic acid has a molecular weight of 276.29 g/mol, XLogP of 1.33, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanoic acid is sourced from PubChem (CID 103495892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).