ethyl 4-[2-(4-acetylanilino)-2-oxoethoxy]-2-(4-fluorophenyl)quinoline-6-carboxylate

C28H23FN2O5 — CID 46298879

IUPACethyl 4-[2-(4-acetylanilino)-2-oxoethoxy]-2-(4-fluorophenyl)quinoline-6-carboxylate
SMILESCCOC(=O)c1ccc2nc(-c3ccc(F)cc3)cc(OCC(=O)Nc3ccc(C(C)=O)cc3)c2c1
InChIInChI=1S/C28H23FN2O5/c1-3-35-28(34)20-8-13-24-23(14-20)26(15-25(31-24)19-4-9-21(29)10-5-19)36-16-27(33)30-22-11-6-18(7-12-22)17(2)32/h4-15H,3,16H2,1-2H3,(H,30,33)
InChIKeyHQXZRXPXROSVHW-UHFFFAOYSA-N
MW486.50 g/mol
LogP5.44
Rot. Bonds8

About ethyl 4-[2-(4-acetylanilino)-2-oxoethoxy]-2-(4-fluorophenyl)quinoline-6-carboxylate

ethyl 4-[2-(4-acetylanilino)-2-oxoethoxy]-2-(4-fluorophenyl)quinoline-6-carboxylate (PubChem CID 46298879) has the molecular formula C28H23FN2O5 and a molecular weight of 486.50 g/mol. Its IUPAC name is ethyl 4-[2-(4-acetylanilino)-2-oxoethoxy]-2-(4-fluorophenyl)quinoline-6-carboxylate.

Molecular Properties

Compound Nameethyl 4-[2-(4-acetylanilino)-2-oxoethoxy]-2-(4-fluorophenyl)quinoline-6-carboxylate
PubChem CID46298879
Molecular FormulaC28H23FN2O5
Molecular Weight486.50 g/mol
Exact Mass486.16
IUPAC Nameethyl 4-[2-(4-acetylanilino)-2-oxoethoxy]-2-(4-fluorophenyl)quinoline-6-carboxylate
SMILESCCOC(=O)c1ccc2nc(-c3ccc(F)cc3)cc(OCC(=O)Nc3ccc(C(C)=O)cc3)c2c1
InChIInChI=1S/C28H23FN2O5/c1-3-35-28(34)20-8-13-24-23(14-20)26(15-25(31-24)19-4-9-21(29)10-5-19)36-16-27(33)30-22-11-6-18(7-12-22)17(2)32/h4-15H,3,16H2,1-2H3,(H,30,33)
InChIKeyHQXZRXPXROSVHW-UHFFFAOYSA-N
XLogP5.44
TPSA94.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.50
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 4-[2-(benzylamino)-2-oxoethoxy]-2-(4-fluorophenyl)quinoline-6-carboxylate
CID 46298865
ethyl 4-[2-(3-chloro-4-methylanilino)-2-oxoethoxy]-2-phenylquinoline-6-carboxylate
CID 46298757
ethyl 4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]-2-phenylquinoline-6-carboxylate
CID 46298787
ethyl 2-[2-(4-fluorophenyl)-6-(propanoylamino)quinolin-4-yl]oxyacetate
CID 53113659
methyl 4-ethoxy-2-(4-fluorophenyl)quinoline-6-carboxylate
CID 154854437
N-(4-fluorophenyl)-2-[2-(4-methylphenyl)quinolin-4-yl]oxyacetamide
CID 46298901
ethyl 4-[2-(3,4-difluoroanilino)-2-oxoethoxy]-2-(3-methoxyphenyl)quinoline-6-carboxylate
CID 46298723
ethyl 4-[2-oxo-2-(2,4,6-trimethylanilino)ethoxy]-2-phenylquinoline-6-carboxylate
CID 46298759
ethyl 4-[2-(4-chloroanilino)-2-oxoethoxy]-2-(3-methoxyphenyl)quinoline-6-carboxylate
CID 46298722
ethyl 4-[2-(3-fluoro-4-methylanilino)-2-oxoethoxy]-2-(3-methoxyphenyl)quinoline-6-carboxylate
CID 46298724
2-(6-fluoro-2-phenylquinolin-4-yl)oxy-N-phenylacetamide
CID 46298801
ethyl 4-ethoxy-2-phenylquinoline-6-carboxylate
CID 22425101

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-(4-acetylanilino)-2-oxoethoxy]-2-(4-fluorophenyl)quinoline-6-carboxylate?
The IUPAC name of ethyl 4-[2-(4-acetylanilino)-2-oxoethoxy]-2-(4-fluorophenyl)quinoline-6-carboxylate (CID 46298879) is ethyl 4-[2-(4-acetylanilino)-2-oxoethoxy]-2-(4-fluorophenyl)quinoline-6-carboxylate.
What is the SMILES notation for ethyl 4-[2-(4-acetylanilino)-2-oxoethoxy]-2-(4-fluorophenyl)quinoline-6-carboxylate?
The canonical SMILES for ethyl 4-[2-(4-acetylanilino)-2-oxoethoxy]-2-(4-fluorophenyl)quinoline-6-carboxylate is CCOC(=O)c1ccc2nc(-c3ccc(F)cc3)cc(OCC(=O)Nc3ccc(C(C)=O)cc3)c2c1.
What is the InChIKey of ethyl 4-[2-(4-acetylanilino)-2-oxoethoxy]-2-(4-fluorophenyl)quinoline-6-carboxylate?
The InChIKey is HQXZRXPXROSVHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23FN2O5/c1-3-35-28(34)20-8-13-24-23(14-20)26(15-25(31-24)19-4-9-21(29)10-5-19)36-16-27(33)30-22-11-6-18(7-12-22)17(2)32/h4-15H,3,16H2,1-2H3,(H,30,33).
What are the key properties of ethyl 4-[2-(4-acetylanilino)-2-oxoethoxy]-2-(4-fluorophenyl)quinoline-6-carboxylate?
ethyl 4-[2-(4-acetylanilino)-2-oxoethoxy]-2-(4-fluorophenyl)quinoline-6-carboxylate has a molecular weight of 486.50 g/mol, XLogP of 5.44, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-(4-acetylanilino)-2-oxoethoxy]-2-(4-fluorophenyl)quinoline-6-carboxylate is sourced from PubChem (CID 46298879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).