3-(3-oxo-2,4-dihydroquinoxalin-1-yl)cyclobutane-1-carboxylic acid

C13H14N2O3 — CID 117030692

IUPAC3-(3-oxo-2,4-dihydroquinoxalin-1-yl)cyclobutane-1-carboxylic acid
SMILESO=C1CN(C2CC(C(=O)O)C2)c2ccccc2N1
InChIInChI=1S/C13H14N2O3/c16-12-7-15(9-5-8(6-9)13(17)18)11-4-2-1-3-10(11)14-12/h1-4,8-9H,5-7H2,(H,14,16)(H,17,18)
InChIKeyNVDWSRIMLPETTD-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.31
Rot. Bonds2

About 3-(3-oxo-2,4-dihydroquinoxalin-1-yl)cyclobutane-1-carboxylic acid

3-(3-oxo-2,4-dihydroquinoxalin-1-yl)cyclobutane-1-carboxylic acid (PubChem CID 117030692) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is 3-(3-oxo-2,4-dihydroquinoxalin-1-yl)cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name3-(3-oxo-2,4-dihydroquinoxalin-1-yl)cyclobutane-1-carboxylic acid
PubChem CID117030692
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC Name3-(3-oxo-2,4-dihydroquinoxalin-1-yl)cyclobutane-1-carboxylic acid
SMILESO=C1CN(C2CC(C(=O)O)C2)c2ccccc2N1
InChIInChI=1S/C13H14N2O3/c16-12-7-15(9-5-8(6-9)13(17)18)11-4-2-1-3-10(11)14-12/h1-4,8-9H,5-7H2,(H,14,16)(H,17,18)
InChIKeyNVDWSRIMLPETTD-UHFFFAOYSA-N
XLogP1.31
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]-2-phenylethane-1,2-dione
CID 2445640
4-(3,4-dihydro-2H-quinoxalin-1-yl)cyclohexane-1-carboxylic acid
CID 117030843
(3S)-1-[4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanoyl]piperidine-3-carboxylic acid
CID 119173948
3-(3-oxo-2,4-dihydroquinoxalin-1-yl)prop-2-enoic acid
CID 79889525
4-(2-oxobutyl)-1,3-dihydroquinoxalin-2-one
CID 62040796
4-(2-methylpiperidine-4-carbonyl)-1,3-dihydroquinoxalin-2-one
CID 106738692
4-(pyrrolidine-3-carbonyl)-1,3-dihydroquinoxalin-2-one
CID 63006373
3-(4-methyl-2-oxo-3H-quinoxalin-1-yl)cyclobutane-1-carboxylic acid
CID 117030739
4-(3-phenylmethoxycyclobutanecarbonyl)-1,3-dihydroquinoxalin-2-one
CID 163261604
1-adamantyl-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]azanium
CID 7666372
1-[4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanoyl]piperidine-2-carboxylic acid
CID 119176060
1-cyclopropyl-3-oxo-2,4-dihydroquinoxaline-5-carboxylic acid
CID 83840831

Frequently Asked Questions

What is the IUPAC name of 3-(3-oxo-2,4-dihydroquinoxalin-1-yl)cyclobutane-1-carboxylic acid?
The IUPAC name of 3-(3-oxo-2,4-dihydroquinoxalin-1-yl)cyclobutane-1-carboxylic acid (CID 117030692) is 3-(3-oxo-2,4-dihydroquinoxalin-1-yl)cyclobutane-1-carboxylic acid.
What is the SMILES notation for 3-(3-oxo-2,4-dihydroquinoxalin-1-yl)cyclobutane-1-carboxylic acid?
The canonical SMILES for 3-(3-oxo-2,4-dihydroquinoxalin-1-yl)cyclobutane-1-carboxylic acid is O=C1CN(C2CC(C(=O)O)C2)c2ccccc2N1.
What is the InChIKey of 3-(3-oxo-2,4-dihydroquinoxalin-1-yl)cyclobutane-1-carboxylic acid?
The InChIKey is NVDWSRIMLPETTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3/c16-12-7-15(9-5-8(6-9)13(17)18)11-4-2-1-3-10(11)14-12/h1-4,8-9H,5-7H2,(H,14,16)(H,17,18).
What are the key properties of 3-(3-oxo-2,4-dihydroquinoxalin-1-yl)cyclobutane-1-carboxylic acid?
3-(3-oxo-2,4-dihydroquinoxalin-1-yl)cyclobutane-1-carboxylic acid has a molecular weight of 246.27 g/mol, XLogP of 1.31, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-oxo-2,4-dihydroquinoxalin-1-yl)cyclobutane-1-carboxylic acid is sourced from PubChem (CID 117030692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).