[2-oxo-2-(3-quinoxalin-2-ylanilino)ethyl] 2-anilinobenzoate

C29H22N4O3 — CID 19616159

IUPAC[2-oxo-2-(3-quinoxalin-2-ylanilino)ethyl] 2-anilinobenzoate
SMILESO=C(COC(=O)c1ccccc1Nc1ccccc1)Nc1cccc(-c2cnc3ccccc3n2)c1
InChIInChI=1S/C29H22N4O3/c34-28(19-36-29(35)23-13-4-5-14-24(23)31-21-10-2-1-3-11-21)32-22-12-8-9-20(17-22)27-18-30-25-15-6-7-16-26(25)33-27/h1-18,31H,19H2,(H,32,34)
InChIKeySOSKGQHGGRBOSV-UHFFFAOYSA-N
MW474.52 g/mol
LogP5.84
Rot. Bonds7

About [2-oxo-2-(3-quinoxalin-2-ylanilino)ethyl] 2-anilinobenzoate

[2-oxo-2-(3-quinoxalin-2-ylanilino)ethyl] 2-anilinobenzoate (PubChem CID 19616159) has the molecular formula C29H22N4O3 and a molecular weight of 474.52 g/mol. Its IUPAC name is [2-oxo-2-(3-quinoxalin-2-ylanilino)ethyl] 2-anilinobenzoate.

Molecular Properties

Compound Name[2-oxo-2-(3-quinoxalin-2-ylanilino)ethyl] 2-anilinobenzoate
PubChem CID19616159
Molecular FormulaC29H22N4O3
Molecular Weight474.52 g/mol
Exact Mass474.17
IUPAC Name[2-oxo-2-(3-quinoxalin-2-ylanilino)ethyl] 2-anilinobenzoate
SMILESO=C(COC(=O)c1ccccc1Nc1ccccc1)Nc1cccc(-c2cnc3ccccc3n2)c1
InChIInChI=1S/C29H22N4O3/c34-28(19-36-29(35)23-13-4-5-14-24(23)31-21-10-2-1-3-11-21)32-22-12-8-9-20(17-22)27-18-30-25-15-6-7-16-26(25)33-27/h1-18,31H,19H2,(H,32,34)
InChIKeySOSKGQHGGRBOSV-UHFFFAOYSA-N
XLogP5.84
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.52
LogP ≤ 55.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(3,4-dichloroanilino)-2-oxoethyl] 2-anilinobenzoate
CID 3694895
[2-oxo-2-(pyridin-2-ylamino)ethyl] 2-anilinobenzoate
CID 4063744
[2-(4-bromo-3-methylanilino)-2-oxoethyl] 2-anilinobenzoate
CID 3287934
[2-(3-chloro-4-fluoroanilino)-2-oxoethyl] 2-anilinobenzoate
CID 7857721
[2-oxo-2-(2-phenylanilino)ethyl] quinoxaline-2-carboxylate
CID 30031920
1-(4-methoxyphenyl)-3-(3-quinoxalin-2-ylphenyl)urea
CID 1485415
4-bromo-N-(3-quinoxalin-2-ylphenyl)benzamide
CID 2233095
[2-(3-methylanilino)-2-oxoethyl] 2-benzamidobenzoate
CID 3493766
[2-(3-methylsulfanylanilino)-2-oxoethyl] quinoxaline-2-carboxylate
CID 30031478
[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] quinoxaline-2-carboxylate
CID 30030798
[2-(3-fluoroanilino)-2-oxoethyl] 2-(2,3-dimethylanilino)benzoate
CID 7752549
[2-(3-acetamidoanilino)-2-oxoethyl] 2-phenylbenzoate
CID 7229076

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(3-quinoxalin-2-ylanilino)ethyl] 2-anilinobenzoate?
The IUPAC name of [2-oxo-2-(3-quinoxalin-2-ylanilino)ethyl] 2-anilinobenzoate (CID 19616159) is [2-oxo-2-(3-quinoxalin-2-ylanilino)ethyl] 2-anilinobenzoate.
What is the SMILES notation for [2-oxo-2-(3-quinoxalin-2-ylanilino)ethyl] 2-anilinobenzoate?
The canonical SMILES for [2-oxo-2-(3-quinoxalin-2-ylanilino)ethyl] 2-anilinobenzoate is O=C(COC(=O)c1ccccc1Nc1ccccc1)Nc1cccc(-c2cnc3ccccc3n2)c1.
What is the InChIKey of [2-oxo-2-(3-quinoxalin-2-ylanilino)ethyl] 2-anilinobenzoate?
The InChIKey is SOSKGQHGGRBOSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H22N4O3/c34-28(19-36-29(35)23-13-4-5-14-24(23)31-21-10-2-1-3-11-21)32-22-12-8-9-20(17-22)27-18-30-25-15-6-7-16-26(25)33-27/h1-18,31H,19H2,(H,32,34).
What are the key properties of [2-oxo-2-(3-quinoxalin-2-ylanilino)ethyl] 2-anilinobenzoate?
[2-oxo-2-(3-quinoxalin-2-ylanilino)ethyl] 2-anilinobenzoate has a molecular weight of 474.52 g/mol, XLogP of 5.84, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(3-quinoxalin-2-ylanilino)ethyl] 2-anilinobenzoate is sourced from PubChem (CID 19616159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).