ethyl 4-[2-(4-chloroanilino)-2-oxoethoxy]-2-(3-methoxyphenyl)quinoline-6-carboxylate

C27H23ClN2O5 — CID 46298722

IUPACethyl 4-[2-(4-chloroanilino)-2-oxoethoxy]-2-(3-methoxyphenyl)quinoline-6-carboxylate
SMILESCCOC(=O)c1ccc2nc(-c3cccc(OC)c3)cc(OCC(=O)Nc3ccc(Cl)cc3)c2c1
InChIInChI=1S/C27H23ClN2O5/c1-3-34-27(32)18-7-12-23-22(14-18)25(15-24(30-23)17-5-4-6-21(13-17)33-2)35-16-26(31)29-20-10-8-19(28)9-11-20/h4-15H,3,16H2,1-2H3,(H,29,31)
InChIKeyYPHUYKXWAPXTSQ-UHFFFAOYSA-N
MW490.94 g/mol
LogP5.76
Rot. Bonds8

About ethyl 4-[2-(4-chloroanilino)-2-oxoethoxy]-2-(3-methoxyphenyl)quinoline-6-carboxylate

ethyl 4-[2-(4-chloroanilino)-2-oxoethoxy]-2-(3-methoxyphenyl)quinoline-6-carboxylate (PubChem CID 46298722) has the molecular formula C27H23ClN2O5 and a molecular weight of 490.94 g/mol. Its IUPAC name is ethyl 4-[2-(4-chloroanilino)-2-oxoethoxy]-2-(3-methoxyphenyl)quinoline-6-carboxylate.

Molecular Properties

Compound Nameethyl 4-[2-(4-chloroanilino)-2-oxoethoxy]-2-(3-methoxyphenyl)quinoline-6-carboxylate
PubChem CID46298722
Molecular FormulaC27H23ClN2O5
Molecular Weight490.94 g/mol
Exact Mass490.13
IUPAC Nameethyl 4-[2-(4-chloroanilino)-2-oxoethoxy]-2-(3-methoxyphenyl)quinoline-6-carboxylate
SMILESCCOC(=O)c1ccc2nc(-c3cccc(OC)c3)cc(OCC(=O)Nc3ccc(Cl)cc3)c2c1
InChIInChI=1S/C27H23ClN2O5/c1-3-34-27(32)18-7-12-23-22(14-18)25(15-24(30-23)17-5-4-6-21(13-17)33-2)35-16-26(31)29-20-10-8-19(28)9-11-20/h4-15H,3,16H2,1-2H3,(H,29,31)
InChIKeyYPHUYKXWAPXTSQ-UHFFFAOYSA-N
XLogP5.76
TPSA86.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.94
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 4-[2-(3,4-difluoroanilino)-2-oxoethoxy]-2-(3-methoxyphenyl)quinoline-6-carboxylate
CID 46298723
ethyl 4-[2-(3-fluoro-4-methylanilino)-2-oxoethoxy]-2-(3-methoxyphenyl)quinoline-6-carboxylate
CID 46298724
ethyl 2-(3-methoxyphenyl)-4-[2-(3-methylanilino)-2-oxoethoxy]quinoline-6-carboxylate
CID 46298739
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 4-[2-(4-acetylanilino)-2-oxoethoxy]-2-(4-fluorophenyl)quinoline-6-carboxylate
CID 46298879
4-ethoxy-N,2-bis(3-methoxyphenyl)quinoline-6-carboxamide
CID 46318881
ethyl 4-[2-oxo-2-(2,4,6-trimethylanilino)ethoxy]-2-phenylquinoline-6-carboxylate
CID 46298759
ethyl 4-ethoxy-2-phenylquinoline-6-carboxylate
CID 22425101
ethyl 4-(2-amino-2-oxoethoxy)-2-phenylquinoline-6-carboxylate
CID 46298743
methyl 6-chloro-4-[2-(3-methoxyanilino)-2-oxoethoxy]quinoline-2-carboxylate
CID 53113143
N-(2,5-dimethoxyphenyl)-4-ethoxy-2-(3-methoxyphenyl)quinoline-6-carboxamide
CID 46318861

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-(4-chloroanilino)-2-oxoethoxy]-2-(3-methoxyphenyl)quinoline-6-carboxylate?
The IUPAC name of ethyl 4-[2-(4-chloroanilino)-2-oxoethoxy]-2-(3-methoxyphenyl)quinoline-6-carboxylate (CID 46298722) is ethyl 4-[2-(4-chloroanilino)-2-oxoethoxy]-2-(3-methoxyphenyl)quinoline-6-carboxylate.
What is the SMILES notation for ethyl 4-[2-(4-chloroanilino)-2-oxoethoxy]-2-(3-methoxyphenyl)quinoline-6-carboxylate?
The canonical SMILES for ethyl 4-[2-(4-chloroanilino)-2-oxoethoxy]-2-(3-methoxyphenyl)quinoline-6-carboxylate is CCOC(=O)c1ccc2nc(-c3cccc(OC)c3)cc(OCC(=O)Nc3ccc(Cl)cc3)c2c1.
What is the InChIKey of ethyl 4-[2-(4-chloroanilino)-2-oxoethoxy]-2-(3-methoxyphenyl)quinoline-6-carboxylate?
The InChIKey is YPHUYKXWAPXTSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23ClN2O5/c1-3-34-27(32)18-7-12-23-22(14-18)25(15-24(30-23)17-5-4-6-21(13-17)33-2)35-16-26(31)29-20-10-8-19(28)9-11-20/h4-15H,3,16H2,1-2H3,(H,29,31).
What are the key properties of ethyl 4-[2-(4-chloroanilino)-2-oxoethoxy]-2-(3-methoxyphenyl)quinoline-6-carboxylate?
ethyl 4-[2-(4-chloroanilino)-2-oxoethoxy]-2-(3-methoxyphenyl)quinoline-6-carboxylate has a molecular weight of 490.94 g/mol, XLogP of 5.76, 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-chloroanilino)-2-oxoethoxy]-2-(3-methoxyphenyl)quinoline-6-carboxylate is sourced from PubChem (CID 46298722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).