1-cyclopropyl-3-oxo-2,4-dihydroquinoxaline-5-carboxylic acid

C12H12N2O3 — CID 83840831

IUPAC1-cyclopropyl-3-oxo-2,4-dihydroquinoxaline-5-carboxylic acid
SMILESO=C1CN(C2CC2)c2cccc(C(=O)O)c2N1
InChIInChI=1S/C12H12N2O3/c15-10-6-14(7-4-5-7)9-3-1-2-8(12(16)17)11(9)13-10/h1-3,7H,4-6H2,(H,13,15)(H,16,17)
InChIKeyWDFYTONJDQGZQT-UHFFFAOYSA-N
MW232.24 g/mol
LogP1.31
Rot. Bonds2

About 1-cyclopropyl-3-oxo-2,4-dihydroquinoxaline-5-carboxylic acid

1-cyclopropyl-3-oxo-2,4-dihydroquinoxaline-5-carboxylic acid (PubChem CID 83840831) has the molecular formula C12H12N2O3 and a molecular weight of 232.24 g/mol. Its IUPAC name is 1-cyclopropyl-3-oxo-2,4-dihydroquinoxaline-5-carboxylic acid.

Molecular Properties

Compound Name1-cyclopropyl-3-oxo-2,4-dihydroquinoxaline-5-carboxylic acid
PubChem CID83840831
Molecular FormulaC12H12N2O3
Molecular Weight232.24 g/mol
Exact Mass232.08
IUPAC Name1-cyclopropyl-3-oxo-2,4-dihydroquinoxaline-5-carboxylic acid
SMILESO=C1CN(C2CC2)c2cccc(C(=O)O)c2N1
InChIInChI=1S/C12H12N2O3/c15-10-6-14(7-4-5-7)9-3-1-2-8(12(16)17)11(9)13-10/h1-3,7H,4-6H2,(H,13,15)(H,16,17)
InChIKeyWDFYTONJDQGZQT-UHFFFAOYSA-N
XLogP1.31
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopropyl-2,3,4,5-tetrahydro-1,5-benzodiazepine-6-carboxylic acid
CID 83840877
3-(3-oxo-2,4-dihydroquinoxalin-1-yl)cyclobutane-1-carboxylic acid
CID 117030692
1-ethyl-2,2-dimethyl-3-oxo-4H-quinoxaline-5-carboxylic acid
CID 113332344
3-amino-2-(2-ethyl-3,5-dioxopiperazin-1-yl)benzoic acid
CID 115935225
1-methyl-4-oxospiro[2,5-dihydro-1,5-benzodiazepine-3,1'-cyclobutane]-6-carboxylic acid
CID 115099951
3-oxo-2-piperidin-4-yl-1H-isoindole-4-carboxylic acid;hydrochloride
CID 140691699
3-amino-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)benzoic acid
CID 115934088
2-cyclohexyl-3-oxo-1H-isoindole-4-carboxylic acid
CID 783733
2-amino-3-(2,2-dimethyl-3,5-dioxopiperazin-1-yl)benzoic acid
CID 115546460
4-cyclopropyl-2-oxo-1,3,4,5-tetrahydro-1,5-benzodiazepine-6-carboxylic acid
CID 112577525
4-cyclopropyl-5-methyl-1,3-dihydroquinoxalin-2-one
CID 115554224
2-(4-cyclopropylpiperazin-1-yl)benzoic acid
CID 28802166

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-oxo-2,4-dihydroquinoxaline-5-carboxylic acid?
The IUPAC name of 1-cyclopropyl-3-oxo-2,4-dihydroquinoxaline-5-carboxylic acid (CID 83840831) is 1-cyclopropyl-3-oxo-2,4-dihydroquinoxaline-5-carboxylic acid.
What is the SMILES notation for 1-cyclopropyl-3-oxo-2,4-dihydroquinoxaline-5-carboxylic acid?
The canonical SMILES for 1-cyclopropyl-3-oxo-2,4-dihydroquinoxaline-5-carboxylic acid is O=C1CN(C2CC2)c2cccc(C(=O)O)c2N1.
What is the InChIKey of 1-cyclopropyl-3-oxo-2,4-dihydroquinoxaline-5-carboxylic acid?
The InChIKey is WDFYTONJDQGZQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3/c15-10-6-14(7-4-5-7)9-3-1-2-8(12(16)17)11(9)13-10/h1-3,7H,4-6H2,(H,13,15)(H,16,17).
What are the key properties of 1-cyclopropyl-3-oxo-2,4-dihydroquinoxaline-5-carboxylic acid?
1-cyclopropyl-3-oxo-2,4-dihydroquinoxaline-5-carboxylic acid has a molecular weight of 232.24 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 1-cyclopropyl-3-oxo-2,4-dihydroquinoxaline-5-carboxylic acid is sourced from PubChem (CID 83840831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).