[1-(2-ethoxyanilino)-1-oxopropan-2-yl] 2,3-diphenylquinoxaline-6-carboxylate

C32H27N3O4 — CID 23887910

IUPAC[1-(2-ethoxyanilino)-1-oxopropan-2-yl] 2,3-diphenylquinoxaline-6-carboxylate
SMILESCCOc1ccccc1NC(=O)C(C)OC(=O)c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1
InChIInChI=1S/C32H27N3O4/c1-3-38-28-17-11-10-16-26(28)35-31(36)21(2)39-32(37)24-18-19-25-27(20-24)34-30(23-14-8-5-9-15-23)29(33-25)22-12-6-4-7-13-22/h4-21H,3H2,1-2H3,(H,35,36)
InChIKeyWEGDMDCVBVTUED-UHFFFAOYSA-N
MW517.59 g/mol
LogP6.55
Rot. Bonds8

About [1-(2-ethoxyanilino)-1-oxopropan-2-yl] 2,3-diphenylquinoxaline-6-carboxylate

[1-(2-ethoxyanilino)-1-oxopropan-2-yl] 2,3-diphenylquinoxaline-6-carboxylate (PubChem CID 23887910) has the molecular formula C32H27N3O4 and a molecular weight of 517.59 g/mol. Its IUPAC name is [1-(2-ethoxyanilino)-1-oxopropan-2-yl] 2,3-diphenylquinoxaline-6-carboxylate.

Molecular Properties

Compound Name[1-(2-ethoxyanilino)-1-oxopropan-2-yl] 2,3-diphenylquinoxaline-6-carboxylate
PubChem CID23887910
Molecular FormulaC32H27N3O4
Molecular Weight517.59 g/mol
Exact Mass517.20
IUPAC Name[1-(2-ethoxyanilino)-1-oxopropan-2-yl] 2,3-diphenylquinoxaline-6-carboxylate
SMILESCCOc1ccccc1NC(=O)C(C)OC(=O)c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1
InChIInChI=1S/C32H27N3O4/c1-3-38-28-17-11-10-16-26(28)35-31(36)21(2)39-32(37)24-18-19-25-27(20-24)34-30(23-14-8-5-9-15-23)29(33-25)22-12-6-4-7-13-22/h4-21H,3H2,1-2H3,(H,35,36)
InChIKeyWEGDMDCVBVTUED-UHFFFAOYSA-N
XLogP6.55
TPSA90.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.59
LogP ≤ 56.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [1-(2-ethoxyanilino)-1-oxopropan-2-yl] 2,3-diphenylquinoxaline-6-carboxylate with MolForge

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Related Compounds

[1-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-1-oxopropan-2-yl] 2,3-diphenylquinoxaline-6-carboxylate
CID 23999781
[1-(2-ethoxyanilino)-1-oxopropan-2-yl] 2-(4-methylphenyl)-3H-benzimidazole-5-carboxylate
CID 23773806
[1-(2-chloroanilino)-1-oxopropan-2-yl] 2,3-bis(4-methylphenyl)quinoxaline-6-carboxylate
CID 23744687
[1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl] 2,3-diphenylquinoxaline-6-carboxylate
CID 23943977
[1-oxo-1-(2,3,5,6-tetrafluoroanilino)propan-2-yl] 2,3-diphenylquinoxaline-6-carboxylate
CID 23943878
[1-(2-ethoxyanilino)-1-oxopropan-2-yl] 4-chlorobenzoate
CID 4103293
[1-(2-bromoanilino)-1-oxopropan-2-yl] 2,3-bis(4-methoxyphenyl)quinoxaline-6-carboxylate
CID 23971913
[1-(2-fluoroanilino)-1-oxobutan-2-yl] 2,3-diphenylquinoxaline-6-carboxylate
CID 23888200
[(2R)-1-(2-ethoxyanilino)-1-oxopropan-2-yl] 2-phenyl-1,3-thiazole-4-carboxylate
CID 9310493
[1-(2-ethoxyanilino)-1-oxopropan-2-yl] 3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylate
CID 46624598
[1-(2-methylanilino)-1-oxopropan-2-yl] 2,3-dimethylquinoxaline-6-carboxylate
CID 55391717
[(2R)-1-(2-ethoxyanilino)-1-oxopropan-2-yl] thiophene-3-carboxylate
CID 9383460

Frequently Asked Questions

What is the IUPAC name of [1-(2-ethoxyanilino)-1-oxopropan-2-yl] 2,3-diphenylquinoxaline-6-carboxylate?
The IUPAC name of [1-(2-ethoxyanilino)-1-oxopropan-2-yl] 2,3-diphenylquinoxaline-6-carboxylate (CID 23887910) is [1-(2-ethoxyanilino)-1-oxopropan-2-yl] 2,3-diphenylquinoxaline-6-carboxylate.
What is the SMILES notation for [1-(2-ethoxyanilino)-1-oxopropan-2-yl] 2,3-diphenylquinoxaline-6-carboxylate?
The canonical SMILES for [1-(2-ethoxyanilino)-1-oxopropan-2-yl] 2,3-diphenylquinoxaline-6-carboxylate is CCOc1ccccc1NC(=O)C(C)OC(=O)c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1.
What is the InChIKey of [1-(2-ethoxyanilino)-1-oxopropan-2-yl] 2,3-diphenylquinoxaline-6-carboxylate?
The InChIKey is WEGDMDCVBVTUED-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H27N3O4/c1-3-38-28-17-11-10-16-26(28)35-31(36)21(2)39-32(37)24-18-19-25-27(20-24)34-30(23-14-8-5-9-15-23)29(33-25)22-12-6-4-7-13-22/h4-21H,3H2,1-2H3,(H,35,36).
What are the key properties of [1-(2-ethoxyanilino)-1-oxopropan-2-yl] 2,3-diphenylquinoxaline-6-carboxylate?
[1-(2-ethoxyanilino)-1-oxopropan-2-yl] 2,3-diphenylquinoxaline-6-carboxylate has a molecular weight of 517.59 g/mol, XLogP of 6.55, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-ethoxyanilino)-1-oxopropan-2-yl] 2,3-diphenylquinoxaline-6-carboxylate is sourced from PubChem (CID 23887910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).