2-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)benzoic acid

C16H12N2O4 — CID 877498

IUPAC2-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)benzoic acid
SMILESO=C1CN(C(=O)c2ccccc2C(=O)O)c2ccccc2N1
InChIInChI=1S/C16H12N2O4/c19-14-9-18(13-8-4-3-7-12(13)17-14)15(20)10-5-1-2-6-11(10)16(21)22/h1-8H,9H2,(H,17,19)(H,21,22)
InChIKeyGMQJVBLYQMGFFW-UHFFFAOYSA-N
MW296.28 g/mol
LogP1.98
Rot. Bonds2

About 2-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)benzoic acid

2-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)benzoic acid (PubChem CID 877498) has the molecular formula C16H12N2O4 and a molecular weight of 296.28 g/mol. Its IUPAC name is 2-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)benzoic acid.

Molecular Properties

Compound Name2-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)benzoic acid
PubChem CID877498
Molecular FormulaC16H12N2O4
Molecular Weight296.28 g/mol
Exact Mass296.08
IUPAC Name2-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)benzoic acid
SMILESO=C1CN(C(=O)c2ccccc2C(=O)O)c2ccccc2N1
InChIInChI=1S/C16H12N2O4/c19-14-9-18(13-8-4-3-7-12(13)17-14)15(20)10-5-1-2-6-11(10)16(21)22/h1-8H,9H2,(H,17,19)(H,21,22)
InChIKeyGMQJVBLYQMGFFW-UHFFFAOYSA-N
XLogP1.98
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.28
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)benzoic acid?
The IUPAC name of 2-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)benzoic acid (CID 877498) is 2-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)benzoic acid.
What is the SMILES notation for 2-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)benzoic acid?
The canonical SMILES for 2-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)benzoic acid is O=C1CN(C(=O)c2ccccc2C(=O)O)c2ccccc2N1.
What is the InChIKey of 2-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)benzoic acid?
The InChIKey is GMQJVBLYQMGFFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O4/c19-14-9-18(13-8-4-3-7-12(13)17-14)15(20)10-5-1-2-6-11(10)16(21)22/h1-8H,9H2,(H,17,19)(H,21,22).
What are the key properties of 2-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)benzoic acid?
2-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)benzoic acid has a molecular weight of 296.28 g/mol, XLogP of 1.98, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)benzoic acid is sourced from PubChem (CID 877498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).