3-(4-methyl-2-oxo-3H-quinoxalin-1-yl)cyclobutane-1-carboxylic acid

C14H16N2O3 — CID 117030739

IUPAC3-(4-methyl-2-oxo-3H-quinoxalin-1-yl)cyclobutane-1-carboxylic acid
SMILESCN1CC(=O)N(C2CC(C(=O)O)C2)c2ccccc21
InChIInChI=1S/C14H16N2O3/c1-15-8-13(17)16(10-6-9(7-10)14(18)19)12-5-3-2-4-11(12)15/h2-5,9-10H,6-8H2,1H3,(H,18,19)
InChIKeyGFHIOZAUOGPEGZ-UHFFFAOYSA-N
MW260.29 g/mol
LogP1.33
Rot. Bonds2

About 3-(4-methyl-2-oxo-3H-quinoxalin-1-yl)cyclobutane-1-carboxylic acid

3-(4-methyl-2-oxo-3H-quinoxalin-1-yl)cyclobutane-1-carboxylic acid (PubChem CID 117030739) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 3-(4-methyl-2-oxo-3H-quinoxalin-1-yl)cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name3-(4-methyl-2-oxo-3H-quinoxalin-1-yl)cyclobutane-1-carboxylic acid
PubChem CID117030739
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name3-(4-methyl-2-oxo-3H-quinoxalin-1-yl)cyclobutane-1-carboxylic acid
SMILESCN1CC(=O)N(C2CC(C(=O)O)C2)c2ccccc21
InChIInChI=1S/C14H16N2O3/c1-15-8-13(17)16(10-6-9(7-10)14(18)19)12-5-3-2-4-11(12)15/h2-5,9-10H,6-8H2,1H3,(H,18,19)
InChIKeyGFHIOZAUOGPEGZ-UHFFFAOYSA-N
XLogP1.33
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-oxo-2,4-dihydroquinoxalin-1-yl)cyclobutane-1-carboxylic acid
CID 117030692
3-[5-(methylamino)-2-oxo-3H-indol-1-yl]cyclobutane-1-carboxylic acid
CID 117042878
cis-(1R,3S)-3-(1,3-dioxoisoindol-2-yl)cyclopentane-1-carboxylic acid
CID 54550801
2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]indole-2-carboxylic acid
CID 105455172
1-(2-acetamidophenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 50948586
1-(2-ethylphenyl)-4-methyl-3H-quinoxalin-2-one
CID 117006650
1-(methoxymethyl)-4-methyl-3H-quinoxalin-2-one
CID 121219968
1-butyl-4-methyl-3H-quinoxalin-2-one
CID 117006618
5-(4-methyl-2-oxo-1,3-dihydroquinoxalin-6-yl)pyrrolidine-3-carboxylic acid
CID 117440154
1-methyl-2H-indol-3-one
CID 10125067
1-cyclopentyl-4-methyl-2-oxo-3H-quinoxaline-6-carbonitrile
CID 117007200
1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 2941796

Frequently Asked Questions

What is the IUPAC name of 3-(4-methyl-2-oxo-3H-quinoxalin-1-yl)cyclobutane-1-carboxylic acid?
The IUPAC name of 3-(4-methyl-2-oxo-3H-quinoxalin-1-yl)cyclobutane-1-carboxylic acid (CID 117030739) is 3-(4-methyl-2-oxo-3H-quinoxalin-1-yl)cyclobutane-1-carboxylic acid.
What is the SMILES notation for 3-(4-methyl-2-oxo-3H-quinoxalin-1-yl)cyclobutane-1-carboxylic acid?
The canonical SMILES for 3-(4-methyl-2-oxo-3H-quinoxalin-1-yl)cyclobutane-1-carboxylic acid is CN1CC(=O)N(C2CC(C(=O)O)C2)c2ccccc21.
What is the InChIKey of 3-(4-methyl-2-oxo-3H-quinoxalin-1-yl)cyclobutane-1-carboxylic acid?
The InChIKey is GFHIOZAUOGPEGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-15-8-13(17)16(10-6-9(7-10)14(18)19)12-5-3-2-4-11(12)15/h2-5,9-10H,6-8H2,1H3,(H,18,19).
What are the key properties of 3-(4-methyl-2-oxo-3H-quinoxalin-1-yl)cyclobutane-1-carboxylic acid?
3-(4-methyl-2-oxo-3H-quinoxalin-1-yl)cyclobutane-1-carboxylic acid has a molecular weight of 260.29 g/mol, XLogP of 1.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methyl-2-oxo-3H-quinoxalin-1-yl)cyclobutane-1-carboxylic acid is sourced from PubChem (CID 117030739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).