3-(2,3-dioxo-4H-quinoxalin-1-yl)propyl 2-methylpropanoate

C15H18N2O4 — CID 163261574

IUPAC3-(2,3-dioxo-4H-quinoxalin-1-yl)propyl 2-methylpropanoate
SMILESCC(C)C(=O)OCCCn1c(=O)c(=O)[nH]c2ccccc21
InChIInChI=1S/C15H18N2O4/c1-10(2)15(20)21-9-5-8-17-12-7-4-3-6-11(12)16-13(18)14(17)19/h3-4,6-7,10H,5,8-9H2,1-2H3,(H,16,18)
InChIKeyAZSWACSMHNOILY-UHFFFAOYSA-N
MW290.32 g/mol
LogP1.28
Rot. Bonds5

About 3-(2,3-dioxo-4H-quinoxalin-1-yl)propyl 2-methylpropanoate

3-(2,3-dioxo-4H-quinoxalin-1-yl)propyl 2-methylpropanoate (PubChem CID 163261574) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is 3-(2,3-dioxo-4H-quinoxalin-1-yl)propyl 2-methylpropanoate.

Molecular Properties

Compound Name3-(2,3-dioxo-4H-quinoxalin-1-yl)propyl 2-methylpropanoate
PubChem CID163261574
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Name3-(2,3-dioxo-4H-quinoxalin-1-yl)propyl 2-methylpropanoate
SMILESCC(C)C(=O)OCCCn1c(=O)c(=O)[nH]c2ccccc21
InChIInChI=1S/C15H18N2O4/c1-10(2)15(20)21-9-5-8-17-12-7-4-3-6-11(12)16-13(18)14(17)19/h3-4,6-7,10H,5,8-9H2,1-2H3,(H,16,18)
InChIKeyAZSWACSMHNOILY-UHFFFAOYSA-N
XLogP1.28
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

4-pentyl-1H-quinoxaline-2,3-dione
CID 169224633
3-(2,3-dioxo-4H-quinoxalin-1-yl)propoxymethyl ethyl carbonate
CID 163261612
ethane;4-(2-hydroxyethyl)-1H-quinoxaline-2,3-dione
CID 163261599
N-[2-(2,3-dioxo-4H-quinoxalin-1-yl)ethyl]-2-ethylbutanamide
CID 110396403
3-(2-oxo-3H-benzimidazol-1-yl)propyl 3,5-dimethylbenzoate
CID 16523706
3-(3-aminooxypropyl)-1H-benzimidazol-2-one
CID 106938634
3-(2,3-dioxo-4H-quinoxalin-1-yl)propoxymethyl ethyl carbonate;3-(2,3-dioxo-4H-quinoxalin-1-yl)propyl ethyl carbonate;3-(2,3-dioxo-4H-quinoxalin-1-yl)propyl 2-methoxybenzoate;3-(2,3-dioxo-4H-quinoxalin-1-yl)propyl 4-methylbenzoate;3-(2,3-dioxo-4H-quinoxalin-1-yl)propyl propan-2-yl carbonate
CID 165044029
6-(2,6-dioxo-3-phenylpyrimidin-1-yl)hexyl 2-methylpropanoate
CID 169034373
3-(2-oxo-3H-benzimidazol-1-yl)propyl 2,3-dimethylbenzoate
CID 2685940
4-[(2-methoxyphenyl)methyl]-1H-quinoxaline-2,3-dione
CID 19980277
N-[2-(2,3-dioxo-4H-quinoxalin-1-yl)ethyl]pyridine-4-carboxamide
CID 110396450
N-[2-(2,3-dioxo-4H-quinoxalin-1-yl)ethyl]-2-(4-fluorophenyl)acetamide
CID 110396431

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dioxo-4H-quinoxalin-1-yl)propyl 2-methylpropanoate?
The IUPAC name of 3-(2,3-dioxo-4H-quinoxalin-1-yl)propyl 2-methylpropanoate (CID 163261574) is 3-(2,3-dioxo-4H-quinoxalin-1-yl)propyl 2-methylpropanoate.
What is the SMILES notation for 3-(2,3-dioxo-4H-quinoxalin-1-yl)propyl 2-methylpropanoate?
The canonical SMILES for 3-(2,3-dioxo-4H-quinoxalin-1-yl)propyl 2-methylpropanoate is CC(C)C(=O)OCCCn1c(=O)c(=O)[nH]c2ccccc21.
What is the InChIKey of 3-(2,3-dioxo-4H-quinoxalin-1-yl)propyl 2-methylpropanoate?
The InChIKey is AZSWACSMHNOILY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4/c1-10(2)15(20)21-9-5-8-17-12-7-4-3-6-11(12)16-13(18)14(17)19/h3-4,6-7,10H,5,8-9H2,1-2H3,(H,16,18).
What are the key properties of 3-(2,3-dioxo-4H-quinoxalin-1-yl)propyl 2-methylpropanoate?
3-(2,3-dioxo-4H-quinoxalin-1-yl)propyl 2-methylpropanoate has a molecular weight of 290.32 g/mol, XLogP of 1.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dioxo-4H-quinoxalin-1-yl)propyl 2-methylpropanoate is sourced from PubChem (CID 163261574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).