methyl 2-[[8-chloro-3-[(4-chloro-2-fluorophenyl)methyl]-2-ethyl-4-oxo-1H-quinolin-5-yl]oxy]acetate

C21H18Cl2FNO4 — CID 68783860

IUPACmethyl 2-[[8-chloro-3-[(4-chloro-2-fluorophenyl)methyl]-2-ethyl-4-oxo-1H-quinolin-5-yl]oxy]acetate
SMILESCCc1[nH]c2c(Cl)ccc(OCC(=O)OC)c2c(=O)c1Cc1ccc(Cl)cc1F
InChIInChI=1S/C21H18Cl2FNO4/c1-3-16-13(8-11-4-5-12(22)9-15(11)24)21(27)19-17(29-10-18(26)28-2)7-6-14(23)20(19)25-16/h4-7,9H,3,8,10H2,1-2H3,(H,25,27)
InChIKeyCTVMJYLZHBXKHX-UHFFFAOYSA-N
MW438.28 g/mol
LogP4.68
Rot. Bonds6

About methyl 2-[[8-chloro-3-[(4-chloro-2-fluorophenyl)methyl]-2-ethyl-4-oxo-1H-quinolin-5-yl]oxy]acetate

methyl 2-[[8-chloro-3-[(4-chloro-2-fluorophenyl)methyl]-2-ethyl-4-oxo-1H-quinolin-5-yl]oxy]acetate (PubChem CID 68783860) has the molecular formula C21H18Cl2FNO4 and a molecular weight of 438.28 g/mol. Its IUPAC name is methyl 2-[[8-chloro-3-[(4-chloro-2-fluorophenyl)methyl]-2-ethyl-4-oxo-1H-quinolin-5-yl]oxy]acetate.

Molecular Properties

Compound Namemethyl 2-[[8-chloro-3-[(4-chloro-2-fluorophenyl)methyl]-2-ethyl-4-oxo-1H-quinolin-5-yl]oxy]acetate
PubChem CID68783860
Molecular FormulaC21H18Cl2FNO4
Molecular Weight438.28 g/mol
Exact Mass437.06
IUPAC Namemethyl 2-[[8-chloro-3-[(4-chloro-2-fluorophenyl)methyl]-2-ethyl-4-oxo-1H-quinolin-5-yl]oxy]acetate
SMILESCCc1[nH]c2c(Cl)ccc(OCC(=O)OC)c2c(=O)c1Cc1ccc(Cl)cc1F
InChIInChI=1S/C21H18Cl2FNO4/c1-3-16-13(8-11-4-5-12(22)9-15(11)24)21(27)19-17(29-10-18(26)28-2)7-6-14(23)20(19)25-16/h4-7,9H,3,8,10H2,1-2H3,(H,25,27)
InChIKeyCTVMJYLZHBXKHX-UHFFFAOYSA-N
XLogP4.68
TPSA68.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.28
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 2-[[8-chloro-3-[(4-chloro-2-fluorophenyl)methyl]-2-ethyl-4-oxo-1H-quinolin-5-yl]oxy]acetate with MolForge

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Related Compounds

methyl 2-[[8-chloro-3-[(4-cyanophenyl)methyl]-2-ethyl-4-oxo-1H-quinolin-5-yl]oxy]acetate
CID 66717628
methyl 2-[[3-[(4-bromophenyl)methyl]-2-ethyl-8-fluoro-4-oxo-1H-quinolin-5-yl]oxy]acetate
CID 66717579
methyl 2-[[3-[(4-chloro-2-fluorophenyl)methyl]-8-fluoro-4-methyl-2-oxo-1H-quinolin-5-yl]oxy]acetate
CID 68781661
methyl 2-[[3-[[2-chloro-4-(cyclobutylcarbamoyl)phenyl]methyl]-2-ethyl-8-fluoro-4-oxo-1H-quinolin-5-yl]oxy]propanoate
CID 68784732
methyl 2-(4-chloro-2-prop-2-enylphenoxy)acetate
CID 69275051
methyl 3-(4-chloro-2-fluorophenyl)propanoate
CID 91755213
methyl 2-[4-chloro-3-(2-methoxy-2-oxoethoxy)phenoxy]acetate
CID 5312098
methyl 2-(2,4-difluorophenoxy)acetate
CID 23434554
methyl 2-(3-chloro-4-fluorophenoxy)acetate
CID 43235932
methyl 2-(4-chloro-2-sulfamoylphenoxy)acetate
CID 70527537
methyl 2-[3-[(4-chlorophenyl)methyl]-8-fluoro-1,4-dimethyl-2-oxoquinolin-5-yl]oxyacetate
CID 68605752
methyl 2-[2-fluoro-4-(methylaminomethyl)phenoxy]acetate
CID 107686567

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[8-chloro-3-[(4-chloro-2-fluorophenyl)methyl]-2-ethyl-4-oxo-1H-quinolin-5-yl]oxy]acetate?
The IUPAC name of methyl 2-[[8-chloro-3-[(4-chloro-2-fluorophenyl)methyl]-2-ethyl-4-oxo-1H-quinolin-5-yl]oxy]acetate (CID 68783860) is methyl 2-[[8-chloro-3-[(4-chloro-2-fluorophenyl)methyl]-2-ethyl-4-oxo-1H-quinolin-5-yl]oxy]acetate.
What is the SMILES notation for methyl 2-[[8-chloro-3-[(4-chloro-2-fluorophenyl)methyl]-2-ethyl-4-oxo-1H-quinolin-5-yl]oxy]acetate?
The canonical SMILES for methyl 2-[[8-chloro-3-[(4-chloro-2-fluorophenyl)methyl]-2-ethyl-4-oxo-1H-quinolin-5-yl]oxy]acetate is CCc1[nH]c2c(Cl)ccc(OCC(=O)OC)c2c(=O)c1Cc1ccc(Cl)cc1F.
What is the InChIKey of methyl 2-[[8-chloro-3-[(4-chloro-2-fluorophenyl)methyl]-2-ethyl-4-oxo-1H-quinolin-5-yl]oxy]acetate?
The InChIKey is CTVMJYLZHBXKHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18Cl2FNO4/c1-3-16-13(8-11-4-5-12(22)9-15(11)24)21(27)19-17(29-10-18(26)28-2)7-6-14(23)20(19)25-16/h4-7,9H,3,8,10H2,1-2H3,(H,25,27).
What are the key properties of methyl 2-[[8-chloro-3-[(4-chloro-2-fluorophenyl)methyl]-2-ethyl-4-oxo-1H-quinolin-5-yl]oxy]acetate?
methyl 2-[[8-chloro-3-[(4-chloro-2-fluorophenyl)methyl]-2-ethyl-4-oxo-1H-quinolin-5-yl]oxy]acetate has a molecular weight of 438.28 g/mol, XLogP of 4.68, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[8-chloro-3-[(4-chloro-2-fluorophenyl)methyl]-2-ethyl-4-oxo-1H-quinolin-5-yl]oxy]acetate is sourced from PubChem (CID 68783860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).