[1-oxo-1-(N-phenylanilino)propan-2-yl] 2,3-diphenylquinoxaline-6-carboxylate

C36H27N3O3 — CID 23888111

IUPAC[1-oxo-1-(N-phenylanilino)propan-2-yl] 2,3-diphenylquinoxaline-6-carboxylate
SMILESCC(OC(=O)c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1)C(=O)N(c1ccccc1)c1ccccc1
InChIInChI=1S/C36H27N3O3/c1-25(35(40)39(29-18-10-4-11-19-29)30-20-12-5-13-21-30)42-36(41)28-22-23-31-32(24-28)38-34(27-16-8-3-9-17-27)33(37-31)26-14-6-2-7-15-26/h2-25H,1H3
InChIKeyGNCNSMTZPNFBOX-UHFFFAOYSA-N
MW549.63 g/mol
LogP7.87
Rot. Bonds7

About [1-oxo-1-(N-phenylanilino)propan-2-yl] 2,3-diphenylquinoxaline-6-carboxylate

[1-oxo-1-(N-phenylanilino)propan-2-yl] 2,3-diphenylquinoxaline-6-carboxylate (PubChem CID 23888111) has the molecular formula C36H27N3O3 and a molecular weight of 549.63 g/mol. Its IUPAC name is [1-oxo-1-(N-phenylanilino)propan-2-yl] 2,3-diphenylquinoxaline-6-carboxylate.

Molecular Properties

Compound Name[1-oxo-1-(N-phenylanilino)propan-2-yl] 2,3-diphenylquinoxaline-6-carboxylate
PubChem CID23888111
Molecular FormulaC36H27N3O3
Molecular Weight549.63 g/mol
Exact Mass549.21
IUPAC Name[1-oxo-1-(N-phenylanilino)propan-2-yl] 2,3-diphenylquinoxaline-6-carboxylate
SMILESCC(OC(=O)c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1)C(=O)N(c1ccccc1)c1ccccc1
InChIInChI=1S/C36H27N3O3/c1-25(35(40)39(29-18-10-4-11-19-29)30-20-12-5-13-21-30)42-36(41)28-22-23-31-32(24-28)38-34(27-16-8-3-9-17-27)33(37-31)26-14-6-2-7-15-26/h2-25H,1H3
InChIKeyGNCNSMTZPNFBOX-UHFFFAOYSA-N
XLogP7.87
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500549.63
LogP ≤ 57.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [1-oxo-1-(N-phenylanilino)propan-2-yl] 2,3-diphenylquinoxaline-6-carboxylate with MolForge

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Related Compounds

[1-oxo-1-(N-phenylanilino)propan-2-yl] 2-(4-methylphenyl)-3H-benzimidazole-5-carboxylate
CID 23888110
[1-oxo-1-(2,3,5,6-tetrafluoroanilino)propan-2-yl] 2,3-diphenylquinoxaline-6-carboxylate
CID 23943878
[1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl] 2,3-diphenylquinoxaline-6-carboxylate
CID 23943977
[1-(2-ethoxyanilino)-1-oxopropan-2-yl] 2,3-diphenylquinoxaline-6-carboxylate
CID 23887910
[1-(2-chloroanilino)-1-oxopropan-2-yl] 2,3-bis(4-methylphenyl)quinoxaline-6-carboxylate
CID 23744687
[1-oxo-1-(4-propan-2-ylanilino)butan-2-yl] 2,3-diphenylquinoxaline-6-carboxylate
CID 23832000
[1-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-1-oxopropan-2-yl] 2,3-diphenylquinoxaline-6-carboxylate
CID 23999781
[1-(2-bromoanilino)-1-oxopropan-2-yl] 2,3-bis(4-methoxyphenyl)quinoxaline-6-carboxylate
CID 23971913
3-(4-methylphenyl)-2-phenylquinoxaline-6-carboxylic acid
CID 90115939
methyl 2-phenyl-3-[4-(propan-2-ylsulfonylamino)phenyl]quinoxaline-6-carboxylate
CID 86718142
[1-(2-fluoroanilino)-1-oxobutan-2-yl] 2,3-diphenylquinoxaline-6-carboxylate
CID 23888200
[1-(4-methoxyanilino)-1-oxopropan-2-yl] 2,3-bis(4-methylphenyl)quinoxaline-6-carboxylate
CID 23915961

Frequently Asked Questions

What is the IUPAC name of [1-oxo-1-(N-phenylanilino)propan-2-yl] 2,3-diphenylquinoxaline-6-carboxylate?
The IUPAC name of [1-oxo-1-(N-phenylanilino)propan-2-yl] 2,3-diphenylquinoxaline-6-carboxylate (CID 23888111) is [1-oxo-1-(N-phenylanilino)propan-2-yl] 2,3-diphenylquinoxaline-6-carboxylate.
What is the SMILES notation for [1-oxo-1-(N-phenylanilino)propan-2-yl] 2,3-diphenylquinoxaline-6-carboxylate?
The canonical SMILES for [1-oxo-1-(N-phenylanilino)propan-2-yl] 2,3-diphenylquinoxaline-6-carboxylate is CC(OC(=O)c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1)C(=O)N(c1ccccc1)c1ccccc1.
What is the InChIKey of [1-oxo-1-(N-phenylanilino)propan-2-yl] 2,3-diphenylquinoxaline-6-carboxylate?
The InChIKey is GNCNSMTZPNFBOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H27N3O3/c1-25(35(40)39(29-18-10-4-11-19-29)30-20-12-5-13-21-30)42-36(41)28-22-23-31-32(24-28)38-34(27-16-8-3-9-17-27)33(37-31)26-14-6-2-7-15-26/h2-25H,1H3.
What are the key properties of [1-oxo-1-(N-phenylanilino)propan-2-yl] 2,3-diphenylquinoxaline-6-carboxylate?
[1-oxo-1-(N-phenylanilino)propan-2-yl] 2,3-diphenylquinoxaline-6-carboxylate has a molecular weight of 549.63 g/mol, XLogP of 7.87, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-oxo-1-(N-phenylanilino)propan-2-yl] 2,3-diphenylquinoxaline-6-carboxylate is sourced from PubChem (CID 23888111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).