methyl 2,3-diphenylquinoxaline-6-carboxylate

C22H16N2O2 — CID 4572650

IUPACmethyl 2,3-diphenylquinoxaline-6-carboxylate
SMILESCOC(=O)c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1
InChIInChI=1S/C22H16N2O2/c1-26-22(25)17-12-13-18-19(14-17)24-21(16-10-6-3-7-11-16)20(23-18)15-8-4-2-5-9-15/h2-14H,1H3
InChIKeyCUWGAAPCPYDMPT-UHFFFAOYSA-N
MW340.38 g/mol
LogP4.75
Rot. Bonds3

About methyl 2,3-diphenylquinoxaline-6-carboxylate

methyl 2,3-diphenylquinoxaline-6-carboxylate (PubChem CID 4572650) has the molecular formula C22H16N2O2 and a molecular weight of 340.38 g/mol. Its IUPAC name is methyl 2,3-diphenylquinoxaline-6-carboxylate.

Molecular Properties

Compound Namemethyl 2,3-diphenylquinoxaline-6-carboxylate
PubChem CID4572650
Molecular FormulaC22H16N2O2
Molecular Weight340.38 g/mol
Exact Mass340.12
IUPAC Namemethyl 2,3-diphenylquinoxaline-6-carboxylate
SMILESCOC(=O)c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1
InChIInChI=1S/C22H16N2O2/c1-26-22(25)17-12-13-18-19(14-17)24-21(16-10-6-3-7-11-16)20(23-18)15-8-4-2-5-9-15/h2-14H,1H3
InChIKeyCUWGAAPCPYDMPT-UHFFFAOYSA-N
XLogP4.75
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2,3-diphenylquinoxaline-6-carboxylate?
The IUPAC name of methyl 2,3-diphenylquinoxaline-6-carboxylate (CID 4572650) is methyl 2,3-diphenylquinoxaline-6-carboxylate.
What is the SMILES notation for methyl 2,3-diphenylquinoxaline-6-carboxylate?
The canonical SMILES for methyl 2,3-diphenylquinoxaline-6-carboxylate is COC(=O)c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1.
What is the InChIKey of methyl 2,3-diphenylquinoxaline-6-carboxylate?
The InChIKey is CUWGAAPCPYDMPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N2O2/c1-26-22(25)17-12-13-18-19(14-17)24-21(16-10-6-3-7-11-16)20(23-18)15-8-4-2-5-9-15/h2-14H,1H3.
What are the key properties of methyl 2,3-diphenylquinoxaline-6-carboxylate?
methyl 2,3-diphenylquinoxaline-6-carboxylate has a molecular weight of 340.38 g/mol, XLogP of 4.75, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,3-diphenylquinoxaline-6-carboxylate is sourced from PubChem (CID 4572650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).