methyl 6-chloro-4-[2-(3-methoxyanilino)-2-oxoethoxy]quinoline-2-carboxylate

C20H17ClN2O5 — CID 53113143

IUPACmethyl 6-chloro-4-[2-(3-methoxyanilino)-2-oxoethoxy]quinoline-2-carboxylate
SMILESCOC(=O)c1cc(OCC(=O)Nc2cccc(OC)c2)c2cc(Cl)ccc2n1
InChIInChI=1S/C20H17ClN2O5/c1-26-14-5-3-4-13(9-14)22-19(24)11-28-18-10-17(20(25)27-2)23-16-7-6-12(21)8-15(16)18/h3-10H,11H2,1-2H3,(H,22,24)
InChIKeyCYUPVGCDRRYXIX-UHFFFAOYSA-N
MW400.82 g/mol
LogP3.70
Rot. Bonds6

About methyl 6-chloro-4-[2-(3-methoxyanilino)-2-oxoethoxy]quinoline-2-carboxylate

methyl 6-chloro-4-[2-(3-methoxyanilino)-2-oxoethoxy]quinoline-2-carboxylate (PubChem CID 53113143) has the molecular formula C20H17ClN2O5 and a molecular weight of 400.82 g/mol. Its IUPAC name is methyl 6-chloro-4-[2-(3-methoxyanilino)-2-oxoethoxy]quinoline-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-chloro-4-[2-(3-methoxyanilino)-2-oxoethoxy]quinoline-2-carboxylate
PubChem CID53113143
Molecular FormulaC20H17ClN2O5
Molecular Weight400.82 g/mol
Exact Mass400.08
IUPAC Namemethyl 6-chloro-4-[2-(3-methoxyanilino)-2-oxoethoxy]quinoline-2-carboxylate
SMILESCOC(=O)c1cc(OCC(=O)Nc2cccc(OC)c2)c2cc(Cl)ccc2n1
InChIInChI=1S/C20H17ClN2O5/c1-26-14-5-3-4-13(9-14)22-19(24)11-28-18-10-17(20(25)27-2)23-16-7-6-12(21)8-15(16)18/h3-10H,11H2,1-2H3,(H,22,24)
InChIKeyCYUPVGCDRRYXIX-UHFFFAOYSA-N
XLogP3.70
TPSA86.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.82
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 6-chloro-4-[2-(3,5-dimethoxyanilino)-2-oxoethoxy]quinoline-2-carboxylate
CID 53113162
methyl 4-[2-(3-chloroanilino)-2-oxoethoxy]-6,7-dimethoxyquinoline-2-carboxylate
CID 53002397
methyl 4-[2-(3,5-dimethoxyanilino)-2-oxoethoxy]-6-methoxyquinoline-2-carboxylate
CID 53113052
methyl 6-chloro-4-[2-(2-methylanilino)-2-oxoethoxy]quinoline-2-carboxylate
CID 53113151
methyl 4-[2-(3,5-dimethoxyanilino)-2-oxoethoxy]-6-methylquinoline-2-carboxylate
CID 53112999
methyl 4-[2-(4-methoxyanilino)-2-oxoethoxy]quinoline-2-carboxylate
CID 53112938
methyl 6-methyl-4-[2-(3-methylsulfanylanilino)-2-oxoethoxy]quinoline-2-carboxylate
CID 53113000
methyl 6-chloro-4-[2-(cyclohexylamino)-2-oxoethoxy]quinoline-2-carboxylate
CID 53113141
methyl 4-[2-(3-chloro-4-methylanilino)-2-oxoethoxy]-6-methylquinoline-2-carboxylate
CID 53112980
N-(3-methoxyphenyl)-2-(2-methylquinolin-4-yl)oxyacetamide
CID 99835658
2-(2-acetyl-4-chlorophenoxy)-N-(3-methoxyphenyl)acetamide
CID 41021404
ethyl 4-[2-(4-bromoanilino)-2-oxoethoxy]-6-chloroquinoline-2-carboxylate
CID 22425199

Frequently Asked Questions

What is the IUPAC name of methyl 6-chloro-4-[2-(3-methoxyanilino)-2-oxoethoxy]quinoline-2-carboxylate?
The IUPAC name of methyl 6-chloro-4-[2-(3-methoxyanilino)-2-oxoethoxy]quinoline-2-carboxylate (CID 53113143) is methyl 6-chloro-4-[2-(3-methoxyanilino)-2-oxoethoxy]quinoline-2-carboxylate.
What is the SMILES notation for methyl 6-chloro-4-[2-(3-methoxyanilino)-2-oxoethoxy]quinoline-2-carboxylate?
The canonical SMILES for methyl 6-chloro-4-[2-(3-methoxyanilino)-2-oxoethoxy]quinoline-2-carboxylate is COC(=O)c1cc(OCC(=O)Nc2cccc(OC)c2)c2cc(Cl)ccc2n1.
What is the InChIKey of methyl 6-chloro-4-[2-(3-methoxyanilino)-2-oxoethoxy]quinoline-2-carboxylate?
The InChIKey is CYUPVGCDRRYXIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN2O5/c1-26-14-5-3-4-13(9-14)22-19(24)11-28-18-10-17(20(25)27-2)23-16-7-6-12(21)8-15(16)18/h3-10H,11H2,1-2H3,(H,22,24).
What are the key properties of methyl 6-chloro-4-[2-(3-methoxyanilino)-2-oxoethoxy]quinoline-2-carboxylate?
methyl 6-chloro-4-[2-(3-methoxyanilino)-2-oxoethoxy]quinoline-2-carboxylate has a molecular weight of 400.82 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-chloro-4-[2-(3-methoxyanilino)-2-oxoethoxy]quinoline-2-carboxylate is sourced from PubChem (CID 53113143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).