6-methyl-7-(4-methylimidazol-1-yl)-3-oxo-4H-quinoxaline-2-carboxylic acid

C14H12N4O3 — CID 59874590

IUPAC6-methyl-7-(4-methylimidazol-1-yl)-3-oxo-4H-quinoxaline-2-carboxylic acid
SMILESCc1cn(-c2cc3nc(C(=O)O)c(=O)[nH]c3cc2C)cn1
InChIInChI=1S/C14H12N4O3/c1-7-3-9-10(16-12(14(20)21)13(19)17-9)4-11(7)18-5-8(2)15-6-18/h3-6H,1-2H3,(H,17,19)(H,20,21)
InChIKeyCLHJWAWRXATDHO-UHFFFAOYSA-N
MW284.28 g/mol
LogP1.42
Rot. Bonds2

About 6-methyl-7-(4-methylimidazol-1-yl)-3-oxo-4H-quinoxaline-2-carboxylic acid

6-methyl-7-(4-methylimidazol-1-yl)-3-oxo-4H-quinoxaline-2-carboxylic acid (PubChem CID 59874590) has the molecular formula C14H12N4O3 and a molecular weight of 284.28 g/mol. Its IUPAC name is 6-methyl-7-(4-methylimidazol-1-yl)-3-oxo-4H-quinoxaline-2-carboxylic acid.

Molecular Properties

Compound Name6-methyl-7-(4-methylimidazol-1-yl)-3-oxo-4H-quinoxaline-2-carboxylic acid
PubChem CID59874590
Molecular FormulaC14H12N4O3
Molecular Weight284.28 g/mol
Exact Mass284.09
IUPAC Name6-methyl-7-(4-methylimidazol-1-yl)-3-oxo-4H-quinoxaline-2-carboxylic acid
SMILESCc1cn(-c2cc3nc(C(=O)O)c(=O)[nH]c3cc2C)cn1
InChIInChI=1S/C14H12N4O3/c1-7-3-9-10(16-12(14(20)21)13(19)17-9)4-11(7)18-5-8(2)15-6-18/h3-6H,1-2H3,(H,17,19)(H,20,21)
InChIKeyCLHJWAWRXATDHO-UHFFFAOYSA-N
XLogP1.42
TPSA100.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.28
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

7-bromo-6-methyl-3-oxo-4H-quinoxaline-2-carboxylic acid
CID 59874547
7-[4-[(4-carboxy-2-fluorophenyl)carbamoyloxymethyl]imidazol-1-yl]-6-methyl-3-oxo-4H-quinoxaline-2-carboxylic acid
CID 59874581
7-methyl-3-(morpholine-4-carbonyl)-6-morpholin-4-yl-1H-quinoxalin-2-one
CID 59874499
ethane;5-(4-methylimidazol-1-yl)-6-oxo-1H-pyridine-2-carboxylic acid
CID 144591561
5-(4-methylimidazol-1-yl)-6-oxo-1H-pyridine-2-carboxylic acid;hydrobromide
CID 131731313
7-[4-[[(4-carboxyphenyl)carbamoylamino]methyl]imidazol-1-yl]-6-chloro-3-oxo-4H-quinoxaline-2-carboxylic acid
CID 18008920
6-(4-ethylimidazol-1-yl)-3-methyl-7-(trifluoromethyl)-1H-quinoxalin-2-one
CID 59874491
7-methoxy-3-oxo-4H-quinoxaline-2-carboxylic acid
CID 77230400
N-[(2R)-butan-2-yl]-6,7-dimethyl-3-oxo-4H-quinoxaline-2-carboxamide
CID 95990031
[7-(4-methylimidazol-1-yl)-2,3-dioxo-6-(trifluoromethyl)-4H-quinoxalin-1-yl]methylphosphonic acid
CID 18921532
ethyl 7-[4-[[4-(2-ethoxy-2-oxoethyl)phenyl]carbamoyloxymethyl]imidazol-1-yl]-3-oxo-6-(trifluoromethyl)-4H-quinoxaline-2-carboxylate
CID 18369255
6-fluoro-3,7-dimethyl-1H-quinoxalin-2-one
CID 59874558

Frequently Asked Questions

What is the IUPAC name of 6-methyl-7-(4-methylimidazol-1-yl)-3-oxo-4H-quinoxaline-2-carboxylic acid?
The IUPAC name of 6-methyl-7-(4-methylimidazol-1-yl)-3-oxo-4H-quinoxaline-2-carboxylic acid (CID 59874590) is 6-methyl-7-(4-methylimidazol-1-yl)-3-oxo-4H-quinoxaline-2-carboxylic acid.
What is the SMILES notation for 6-methyl-7-(4-methylimidazol-1-yl)-3-oxo-4H-quinoxaline-2-carboxylic acid?
The canonical SMILES for 6-methyl-7-(4-methylimidazol-1-yl)-3-oxo-4H-quinoxaline-2-carboxylic acid is Cc1cn(-c2cc3nc(C(=O)O)c(=O)[nH]c3cc2C)cn1.
What is the InChIKey of 6-methyl-7-(4-methylimidazol-1-yl)-3-oxo-4H-quinoxaline-2-carboxylic acid?
The InChIKey is CLHJWAWRXATDHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O3/c1-7-3-9-10(16-12(14(20)21)13(19)17-9)4-11(7)18-5-8(2)15-6-18/h3-6H,1-2H3,(H,17,19)(H,20,21).
What are the key properties of 6-methyl-7-(4-methylimidazol-1-yl)-3-oxo-4H-quinoxaline-2-carboxylic acid?
6-methyl-7-(4-methylimidazol-1-yl)-3-oxo-4H-quinoxaline-2-carboxylic acid has a molecular weight of 284.28 g/mol, XLogP of 1.42, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-7-(4-methylimidazol-1-yl)-3-oxo-4H-quinoxaline-2-carboxylic acid is sourced from PubChem (CID 59874590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).