[1-(4-fluoroanilino)-1-oxopropan-2-yl] 2,3-bis(4-methoxyphenyl)quinoxaline-6-carboxylate

C32H26FN3O5 — CID 23887917

IUPAC[1-(4-fluoroanilino)-1-oxopropan-2-yl] 2,3-bis(4-methoxyphenyl)quinoxaline-6-carboxylate
SMILESCOc1ccc(-c2nc3ccc(C(=O)OC(C)C(=O)Nc4ccc(F)cc4)cc3nc2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C32H26FN3O5/c1-19(31(37)34-24-11-9-23(33)10-12-24)41-32(38)22-8-17-27-28(18-22)36-30(21-6-15-26(40-3)16-7-21)29(35-27)20-4-13-25(39-2)14-5-20/h4-19H,1-3H3,(H,34,37)
InChIKeyYETHMTFSMPEGFB-UHFFFAOYSA-N
MW551.57 g/mol
LogP6.30
Rot. Bonds8

About [1-(4-fluoroanilino)-1-oxopropan-2-yl] 2,3-bis(4-methoxyphenyl)quinoxaline-6-carboxylate

[1-(4-fluoroanilino)-1-oxopropan-2-yl] 2,3-bis(4-methoxyphenyl)quinoxaline-6-carboxylate (PubChem CID 23887917) has the molecular formula C32H26FN3O5 and a molecular weight of 551.57 g/mol. Its IUPAC name is [1-(4-fluoroanilino)-1-oxopropan-2-yl] 2,3-bis(4-methoxyphenyl)quinoxaline-6-carboxylate.

Molecular Properties

Compound Name[1-(4-fluoroanilino)-1-oxopropan-2-yl] 2,3-bis(4-methoxyphenyl)quinoxaline-6-carboxylate
PubChem CID23887917
Molecular FormulaC32H26FN3O5
Molecular Weight551.57 g/mol
Exact Mass551.19
IUPAC Name[1-(4-fluoroanilino)-1-oxopropan-2-yl] 2,3-bis(4-methoxyphenyl)quinoxaline-6-carboxylate
SMILESCOc1ccc(-c2nc3ccc(C(=O)OC(C)C(=O)Nc4ccc(F)cc4)cc3nc2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C32H26FN3O5/c1-19(31(37)34-24-11-9-23(33)10-12-24)41-32(38)22-8-17-27-28(18-22)36-30(21-6-15-26(40-3)16-7-21)29(35-27)20-4-13-25(39-2)14-5-20/h4-19H,1-3H3,(H,34,37)
InChIKeyYETHMTFSMPEGFB-UHFFFAOYSA-N
XLogP6.30
TPSA99.64 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.57
LogP ≤ 56.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [1-(4-fluoroanilino)-1-oxopropan-2-yl] 2,3-bis(4-methoxyphenyl)quinoxaline-6-carboxylate with MolForge

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Related Compounds

[1-(4-methoxyanilino)-1-oxopropan-2-yl] 2,3-bis(4-methylphenyl)quinoxaline-6-carboxylate
CID 23915961
[1-(3-chloroanilino)-1-oxopropan-2-yl] 2,3-bis(4-methoxyphenyl)quinoxaline-6-carboxylate
CID 23773819
[1-(2-bromoanilino)-1-oxopropan-2-yl] 2,3-bis(4-methoxyphenyl)quinoxaline-6-carboxylate
CID 23971913
4-O-[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 1-O-methyl benzene-1,4-dicarboxylate
CID 7296570
[1-(4-chloroanilino)-1-oxopropan-2-yl] 2-(4-methoxyphenyl)-3H-benzimidazole-5-carboxylate
CID 23943862
[1-oxo-1-(4-sulfamoylanilino)butan-2-yl] 2,3-bis(4-methoxyphenyl)quinoxaline-6-carboxylate
CID 25035690
[1-oxo-1-(2,3,5,6-tetrafluoroanilino)propan-2-yl] 2,3-diphenylquinoxaline-6-carboxylate
CID 23943878
[(2S)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] 4-fluorobenzoate
CID 7478239
[(2S)-1-(4-methoxyanilino)-1-oxopropan-2-yl] 3-acetamidobenzoate
CID 41323985
[(2S)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 2,3-dimethylquinoxaline-6-carboxylate
CID 7717162
[1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl] 2,3-bis(4-methylphenyl)quinoxaline-6-carboxylate
CID 23744689
[1-(4-ethoxycarbonylanilino)-1-oxopropan-2-yl] 2-(4-methoxyphenyl)-3H-benzimidazole-5-carboxylate
CID 23744672

Frequently Asked Questions

What is the IUPAC name of [1-(4-fluoroanilino)-1-oxopropan-2-yl] 2,3-bis(4-methoxyphenyl)quinoxaline-6-carboxylate?
The IUPAC name of [1-(4-fluoroanilino)-1-oxopropan-2-yl] 2,3-bis(4-methoxyphenyl)quinoxaline-6-carboxylate (CID 23887917) is [1-(4-fluoroanilino)-1-oxopropan-2-yl] 2,3-bis(4-methoxyphenyl)quinoxaline-6-carboxylate.
What is the SMILES notation for [1-(4-fluoroanilino)-1-oxopropan-2-yl] 2,3-bis(4-methoxyphenyl)quinoxaline-6-carboxylate?
The canonical SMILES for [1-(4-fluoroanilino)-1-oxopropan-2-yl] 2,3-bis(4-methoxyphenyl)quinoxaline-6-carboxylate is COc1ccc(-c2nc3ccc(C(=O)OC(C)C(=O)Nc4ccc(F)cc4)cc3nc2-c2ccc(OC)cc2)cc1.
What is the InChIKey of [1-(4-fluoroanilino)-1-oxopropan-2-yl] 2,3-bis(4-methoxyphenyl)quinoxaline-6-carboxylate?
The InChIKey is YETHMTFSMPEGFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H26FN3O5/c1-19(31(37)34-24-11-9-23(33)10-12-24)41-32(38)22-8-17-27-28(18-22)36-30(21-6-15-26(40-3)16-7-21)29(35-27)20-4-13-25(39-2)14-5-20/h4-19H,1-3H3,(H,34,37).
What are the key properties of [1-(4-fluoroanilino)-1-oxopropan-2-yl] 2,3-bis(4-methoxyphenyl)quinoxaline-6-carboxylate?
[1-(4-fluoroanilino)-1-oxopropan-2-yl] 2,3-bis(4-methoxyphenyl)quinoxaline-6-carboxylate has a molecular weight of 551.57 g/mol, XLogP of 6.30, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-fluoroanilino)-1-oxopropan-2-yl] 2,3-bis(4-methoxyphenyl)quinoxaline-6-carboxylate is sourced from PubChem (CID 23887917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).