ethyl 2,3-diphenylquinoxaline-6-carboxylate

C23H18N2O2 — CID 5262000

IUPACethyl 2,3-diphenylquinoxaline-6-carboxylate
SMILESCCOC(=O)c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1
InChIInChI=1S/C23H18N2O2/c1-2-27-23(26)18-13-14-19-20(15-18)25-22(17-11-7-4-8-12-17)21(24-19)16-9-5-3-6-10-16/h3-15H,2H2,1H3
InChIKeyYSOUPQIJMLZWIL-UHFFFAOYSA-N
MW354.41 g/mol
LogP5.14
Rot. Bonds4

About ethyl 2,3-diphenylquinoxaline-6-carboxylate

ethyl 2,3-diphenylquinoxaline-6-carboxylate (PubChem CID 5262000) has the molecular formula C23H18N2O2 and a molecular weight of 354.41 g/mol. Its IUPAC name is ethyl 2,3-diphenylquinoxaline-6-carboxylate.

Molecular Properties

Compound Nameethyl 2,3-diphenylquinoxaline-6-carboxylate
PubChem CID5262000
Molecular FormulaC23H18N2O2
Molecular Weight354.41 g/mol
Exact Mass354.14
IUPAC Nameethyl 2,3-diphenylquinoxaline-6-carboxylate
SMILESCCOC(=O)c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1
InChIInChI=1S/C23H18N2O2/c1-2-27-23(26)18-13-14-19-20(15-18)25-22(17-11-7-4-8-12-17)21(24-19)16-9-5-3-6-10-16/h3-15H,2H2,1H3
InChIKeyYSOUPQIJMLZWIL-UHFFFAOYSA-N
XLogP5.14
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.41
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2,3-diphenylquinoxaline-6-carboxylate?
The IUPAC name of ethyl 2,3-diphenylquinoxaline-6-carboxylate (CID 5262000) is ethyl 2,3-diphenylquinoxaline-6-carboxylate.
What is the SMILES notation for ethyl 2,3-diphenylquinoxaline-6-carboxylate?
The canonical SMILES for ethyl 2,3-diphenylquinoxaline-6-carboxylate is CCOC(=O)c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1.
What is the InChIKey of ethyl 2,3-diphenylquinoxaline-6-carboxylate?
The InChIKey is YSOUPQIJMLZWIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O2/c1-2-27-23(26)18-13-14-19-20(15-18)25-22(17-11-7-4-8-12-17)21(24-19)16-9-5-3-6-10-16/h3-15H,2H2,1H3.
What are the key properties of ethyl 2,3-diphenylquinoxaline-6-carboxylate?
ethyl 2,3-diphenylquinoxaline-6-carboxylate has a molecular weight of 354.41 g/mol, XLogP of 5.14, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,3-diphenylquinoxaline-6-carboxylate is sourced from PubChem (CID 5262000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).