benzyl 3-oxo-2,4-dihydroquinoxaline-1-carboxylate

C16H14N2O3 — CID 2367131

IUPACbenzyl 3-oxo-2,4-dihydroquinoxaline-1-carboxylate
SMILESO=C1CN(C(=O)OCc2ccccc2)c2ccccc2N1
InChIInChI=1S/C16H14N2O3/c19-15-10-18(14-9-5-4-8-13(14)17-15)16(20)21-11-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,17,19)
InChIKeyXIJVGCYRIIUFKS-UHFFFAOYSA-N
MW282.30 g/mol
LogP2.78
Rot. Bonds2

About benzyl 3-oxo-2,4-dihydroquinoxaline-1-carboxylate

benzyl 3-oxo-2,4-dihydroquinoxaline-1-carboxylate (PubChem CID 2367131) has the molecular formula C16H14N2O3 and a molecular weight of 282.30 g/mol. Its IUPAC name is benzyl 3-oxo-2,4-dihydroquinoxaline-1-carboxylate.

Molecular Properties

Compound Namebenzyl 3-oxo-2,4-dihydroquinoxaline-1-carboxylate
PubChem CID2367131
Molecular FormulaC16H14N2O3
Molecular Weight282.30 g/mol
Exact Mass282.10
IUPAC Namebenzyl 3-oxo-2,4-dihydroquinoxaline-1-carboxylate
SMILESO=C1CN(C(=O)OCc2ccccc2)c2ccccc2N1
InChIInChI=1S/C16H14N2O3/c19-15-10-18(14-9-5-4-8-13(14)17-15)16(20)21-11-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,17,19)
InChIKeyXIJVGCYRIIUFKS-UHFFFAOYSA-N
XLogP2.78
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of benzyl 3-oxo-2,4-dihydroquinoxaline-1-carboxylate?
The IUPAC name of benzyl 3-oxo-2,4-dihydroquinoxaline-1-carboxylate (CID 2367131) is benzyl 3-oxo-2,4-dihydroquinoxaline-1-carboxylate.
What is the SMILES notation for benzyl 3-oxo-2,4-dihydroquinoxaline-1-carboxylate?
The canonical SMILES for benzyl 3-oxo-2,4-dihydroquinoxaline-1-carboxylate is O=C1CN(C(=O)OCc2ccccc2)c2ccccc2N1.
What is the InChIKey of benzyl 3-oxo-2,4-dihydroquinoxaline-1-carboxylate?
The InChIKey is XIJVGCYRIIUFKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3/c19-15-10-18(14-9-5-4-8-13(14)17-15)16(20)21-11-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,17,19).
What are the key properties of benzyl 3-oxo-2,4-dihydroquinoxaline-1-carboxylate?
benzyl 3-oxo-2,4-dihydroquinoxaline-1-carboxylate has a molecular weight of 282.30 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 3-oxo-2,4-dihydroquinoxaline-1-carboxylate is sourced from PubChem (CID 2367131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).