4-(4-fluorophenyl)-3-oxoquinoxaline-2-carboxylic acid

C15H9FN2O3 — CID 154631465

IUPAC4-(4-fluorophenyl)-3-oxoquinoxaline-2-carboxylic acid
SMILESO=C(O)c1nc2ccccc2n(-c2ccc(F)cc2)c1=O
InChIInChI=1S/C15H9FN2O3/c16-9-5-7-10(8-6-9)18-12-4-2-1-3-11(12)17-13(14(18)19)15(20)21/h1-8H,(H,20,21)
InChIKeyGOCZQEXEVVJCGZ-UHFFFAOYSA-N
MW284.25 g/mol
LogP2.22
Rot. Bonds2

About 4-(4-fluorophenyl)-3-oxoquinoxaline-2-carboxylic acid

4-(4-fluorophenyl)-3-oxoquinoxaline-2-carboxylic acid (PubChem CID 154631465) has the molecular formula C15H9FN2O3 and a molecular weight of 284.25 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-3-oxoquinoxaline-2-carboxylic acid.

Molecular Properties

Compound Name4-(4-fluorophenyl)-3-oxoquinoxaline-2-carboxylic acid
PubChem CID154631465
Molecular FormulaC15H9FN2O3
Molecular Weight284.25 g/mol
Exact Mass284.06
IUPAC Name4-(4-fluorophenyl)-3-oxoquinoxaline-2-carboxylic acid
SMILESO=C(O)c1nc2ccccc2n(-c2ccc(F)cc2)c1=O
InChIInChI=1S/C15H9FN2O3/c16-9-5-7-10(8-6-9)18-12-4-2-1-3-11(12)17-13(14(18)19)15(20)21/h1-8H,(H,20,21)
InChIKeyGOCZQEXEVVJCGZ-UHFFFAOYSA-N
XLogP2.22
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.25
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-oxo-4-(4-propoxyphenyl)quinoxaline-2-carboxylic acid
CID 154665130
1-(4-fluorophenyl)-2-(4-methylphenyl)benzimidazole
CID 95930125
3-amino-1-phenylquinoxalin-2-one
CID 19045865
N,1-bis(4-fluorophenyl)benzimidazol-2-amine
CID 71472918
4-ethyl-N-(4-fluorophenyl)-3-oxoquinoxaline-2-carboxamide
CID 50808114
1-(4-fluorophenyl)-2-(4-methoxyphenyl)benzimidazole
CID 134816858
4-[1-(4-hydroxyphenyl)benzimidazol-2-yl]benzoic acid
CID 57424060
[1-[[1-(4-fluorophenyl)benzimidazol-2-yl]methyl]piperidin-4-yl]-piperidin-1-ylmethanone
CID 124791723
N-[[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]methyl]acetamide
CID 110294904
8-chloro-4-(4-ethylphenyl)-3-oxoquinoxaline-2-carboxylic acid
CID 154665146
2-[(Z)-2-(4-fluorophenyl)ethenyl]-3-(4-hydroxyphenyl)quinazolin-4-one
CID 92955316
3-phenyl-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]quinazolin-4-one
CID 121247662

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-3-oxoquinoxaline-2-carboxylic acid?
The IUPAC name of 4-(4-fluorophenyl)-3-oxoquinoxaline-2-carboxylic acid (CID 154631465) is 4-(4-fluorophenyl)-3-oxoquinoxaline-2-carboxylic acid.
What is the SMILES notation for 4-(4-fluorophenyl)-3-oxoquinoxaline-2-carboxylic acid?
The canonical SMILES for 4-(4-fluorophenyl)-3-oxoquinoxaline-2-carboxylic acid is O=C(O)c1nc2ccccc2n(-c2ccc(F)cc2)c1=O.
What is the InChIKey of 4-(4-fluorophenyl)-3-oxoquinoxaline-2-carboxylic acid?
The InChIKey is GOCZQEXEVVJCGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9FN2O3/c16-9-5-7-10(8-6-9)18-12-4-2-1-3-11(12)17-13(14(18)19)15(20)21/h1-8H,(H,20,21).
What are the key properties of 4-(4-fluorophenyl)-3-oxoquinoxaline-2-carboxylic acid?
4-(4-fluorophenyl)-3-oxoquinoxaline-2-carboxylic acid has a molecular weight of 284.25 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-3-oxoquinoxaline-2-carboxylic acid is sourced from PubChem (CID 154631465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).