1-benzyl-3-oxo-2,4-dihydroquinoxaline-6-carboxylic acid

C16H14N2O3 — CID 164652934

IUPAC1-benzyl-3-oxo-2,4-dihydroquinoxaline-6-carboxylic acid
SMILESO=C1CN(Cc2ccccc2)c2ccc(C(=O)O)cc2N1
InChIInChI=1S/C16H14N2O3/c19-15-10-18(9-11-4-2-1-3-5-11)14-7-6-12(16(20)21)8-13(14)17-15/h1-8H,9-10H2,(H,17,19)(H,20,21)
InChIKeyRLSCAHXSJXJHJR-UHFFFAOYSA-N
MW282.30 g/mol
LogP2.34
Rot. Bonds3

About 1-benzyl-3-oxo-2,4-dihydroquinoxaline-6-carboxylic acid

1-benzyl-3-oxo-2,4-dihydroquinoxaline-6-carboxylic acid (PubChem CID 164652934) has the molecular formula C16H14N2O3 and a molecular weight of 282.30 g/mol. Its IUPAC name is 1-benzyl-3-oxo-2,4-dihydroquinoxaline-6-carboxylic acid.

Molecular Properties

Compound Name1-benzyl-3-oxo-2,4-dihydroquinoxaline-6-carboxylic acid
PubChem CID164652934
Molecular FormulaC16H14N2O3
Molecular Weight282.30 g/mol
Exact Mass282.10
IUPAC Name1-benzyl-3-oxo-2,4-dihydroquinoxaline-6-carboxylic acid
SMILESO=C1CN(Cc2ccccc2)c2ccc(C(=O)O)cc2N1
InChIInChI=1S/C16H14N2O3/c19-15-10-18(9-11-4-2-1-3-5-11)14-7-6-12(16(20)21)8-13(14)17-15/h1-8H,9-10H2,(H,17,19)(H,20,21)
InChIKeyRLSCAHXSJXJHJR-UHFFFAOYSA-N
XLogP2.34
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-oxo-2,4-dihydroquinoxaline-6-carboxylic acid?
The IUPAC name of 1-benzyl-3-oxo-2,4-dihydroquinoxaline-6-carboxylic acid (CID 164652934) is 1-benzyl-3-oxo-2,4-dihydroquinoxaline-6-carboxylic acid.
What is the SMILES notation for 1-benzyl-3-oxo-2,4-dihydroquinoxaline-6-carboxylic acid?
The canonical SMILES for 1-benzyl-3-oxo-2,4-dihydroquinoxaline-6-carboxylic acid is O=C1CN(Cc2ccccc2)c2ccc(C(=O)O)cc2N1.
What is the InChIKey of 1-benzyl-3-oxo-2,4-dihydroquinoxaline-6-carboxylic acid?
The InChIKey is RLSCAHXSJXJHJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3/c19-15-10-18(9-11-4-2-1-3-5-11)14-7-6-12(16(20)21)8-13(14)17-15/h1-8H,9-10H2,(H,17,19)(H,20,21).
What are the key properties of 1-benzyl-3-oxo-2,4-dihydroquinoxaline-6-carboxylic acid?
1-benzyl-3-oxo-2,4-dihydroquinoxaline-6-carboxylic acid has a molecular weight of 282.30 g/mol, XLogP of 2.34, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-oxo-2,4-dihydroquinoxaline-6-carboxylic acid is sourced from PubChem (CID 164652934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).