methyl 3-(4-ethoxyphenyl)-2-phenylquinoxaline-6-carboxylate

C24H20N2O3 — CID 86718106

IUPACmethyl 3-(4-ethoxyphenyl)-2-phenylquinoxaline-6-carboxylate
SMILESCCOc1ccc(-c2nc3cc(C(=O)OC)ccc3nc2-c2ccccc2)cc1
InChIInChI=1S/C24H20N2O3/c1-3-29-19-12-9-17(10-13-19)23-22(16-7-5-4-6-8-16)25-20-14-11-18(24(27)28-2)15-21(20)26-23/h4-15H,3H2,1-2H3
InChIKeyDKPKLWYGNNBVCP-UHFFFAOYSA-N
MW384.44 g/mol
LogP5.15
Rot. Bonds5

About methyl 3-(4-ethoxyphenyl)-2-phenylquinoxaline-6-carboxylate

methyl 3-(4-ethoxyphenyl)-2-phenylquinoxaline-6-carboxylate (PubChem CID 86718106) has the molecular formula C24H20N2O3 and a molecular weight of 384.44 g/mol. Its IUPAC name is methyl 3-(4-ethoxyphenyl)-2-phenylquinoxaline-6-carboxylate.

Molecular Properties

Compound Namemethyl 3-(4-ethoxyphenyl)-2-phenylquinoxaline-6-carboxylate
PubChem CID86718106
Molecular FormulaC24H20N2O3
Molecular Weight384.44 g/mol
Exact Mass384.15
IUPAC Namemethyl 3-(4-ethoxyphenyl)-2-phenylquinoxaline-6-carboxylate
SMILESCCOc1ccc(-c2nc3cc(C(=O)OC)ccc3nc2-c2ccccc2)cc1
InChIInChI=1S/C24H20N2O3/c1-3-29-19-12-9-17(10-13-19)23-22(16-7-5-4-6-8-16)25-20-14-11-18(24(27)28-2)15-21(20)26-23/h4-15H,3H2,1-2H3
InChIKeyDKPKLWYGNNBVCP-UHFFFAOYSA-N
XLogP5.15
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.44
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(4-ethoxyphenyl)-2-phenylquinoxaline-6-carboxylate?
The IUPAC name of methyl 3-(4-ethoxyphenyl)-2-phenylquinoxaline-6-carboxylate (CID 86718106) is methyl 3-(4-ethoxyphenyl)-2-phenylquinoxaline-6-carboxylate.
What is the SMILES notation for methyl 3-(4-ethoxyphenyl)-2-phenylquinoxaline-6-carboxylate?
The canonical SMILES for methyl 3-(4-ethoxyphenyl)-2-phenylquinoxaline-6-carboxylate is CCOc1ccc(-c2nc3cc(C(=O)OC)ccc3nc2-c2ccccc2)cc1.
What is the InChIKey of methyl 3-(4-ethoxyphenyl)-2-phenylquinoxaline-6-carboxylate?
The InChIKey is DKPKLWYGNNBVCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O3/c1-3-29-19-12-9-17(10-13-19)23-22(16-7-5-4-6-8-16)25-20-14-11-18(24(27)28-2)15-21(20)26-23/h4-15H,3H2,1-2H3.
What are the key properties of methyl 3-(4-ethoxyphenyl)-2-phenylquinoxaline-6-carboxylate?
methyl 3-(4-ethoxyphenyl)-2-phenylquinoxaline-6-carboxylate has a molecular weight of 384.44 g/mol, XLogP of 5.15, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(4-ethoxyphenyl)-2-phenylquinoxaline-6-carboxylate is sourced from PubChem (CID 86718106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).