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

C20H16ClF2NO4 — CID 68781661

IUPACmethyl 2-[[3-[(4-chloro-2-fluorophenyl)methyl]-8-fluoro-4-methyl-2-oxo-1H-quinolin-5-yl]oxy]acetate
SMILESCOC(=O)COc1ccc(F)c2[nH]c(=O)c(Cc3ccc(Cl)cc3F)c(C)c12
InChIInChI=1S/C20H16ClF2NO4/c1-10-13(7-11-3-4-12(21)8-15(11)23)20(26)24-19-14(22)5-6-16(18(10)19)28-9-17(25)27-2/h3-6,8H,7,9H2,1-2H3,(H,24,26)
InChIKeyRQFCFAUFFCBXAC-UHFFFAOYSA-N
MW407.80 g/mol
LogP3.91
Rot. Bonds5

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

methyl 2-[[3-[(4-chloro-2-fluorophenyl)methyl]-8-fluoro-4-methyl-2-oxo-1H-quinolin-5-yl]oxy]acetate (PubChem CID 68781661) has the molecular formula C20H16ClF2NO4 and a molecular weight of 407.80 g/mol. Its IUPAC name is methyl 2-[[3-[(4-chloro-2-fluorophenyl)methyl]-8-fluoro-4-methyl-2-oxo-1H-quinolin-5-yl]oxy]acetate.

Molecular Properties

Compound Namemethyl 2-[[3-[(4-chloro-2-fluorophenyl)methyl]-8-fluoro-4-methyl-2-oxo-1H-quinolin-5-yl]oxy]acetate
PubChem CID68781661
Molecular FormulaC20H16ClF2NO4
Molecular Weight407.80 g/mol
Exact Mass407.07
IUPAC Namemethyl 2-[[3-[(4-chloro-2-fluorophenyl)methyl]-8-fluoro-4-methyl-2-oxo-1H-quinolin-5-yl]oxy]acetate
SMILESCOC(=O)COc1ccc(F)c2[nH]c(=O)c(Cc3ccc(Cl)cc3F)c(C)c12
InChIInChI=1S/C20H16ClF2NO4/c1-10-13(7-11-3-4-12(21)8-15(11)23)20(26)24-19-14(22)5-6-16(18(10)19)28-9-17(25)27-2/h3-6,8H,7,9H2,1-2H3,(H,24,26)
InChIKeyRQFCFAUFFCBXAC-UHFFFAOYSA-N
XLogP3.91
TPSA68.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.80
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

methyl 2-[[8-chloro-3-[(4-chloro-2-fluorophenyl)methyl]-2-ethyl-4-oxo-1H-quinolin-5-yl]oxy]acetate
CID 68783860
methyl 2-[3-[(4-chlorophenyl)methyl]-8-fluoro-1,4-dimethyl-2-oxoquinolin-5-yl]oxyacetate
CID 68605752
methyl 2-[[3-[(4-bromophenyl)methyl]-2-ethyl-8-fluoro-4-oxo-1H-quinolin-5-yl]oxy]acetate
CID 66717579
methyl 2-(4-chloro-2-prop-2-enylphenoxy)acetate
CID 69275051
methyl 3-(4-chloro-2-fluorophenyl)propanoate
CID 91755213
methyl 2-(2,4-difluorophenoxy)acetate
CID 23434554
methyl (4S)-4-[5-chloro-2-(2-methoxy-2-oxoethoxy)phenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 1093045
methyl 2-(4-chloro-2-sulfamoylphenoxy)acetate
CID 70527537
methyl 2-[2-fluoro-4-(methylaminomethyl)phenoxy]acetate
CID 107686567
methyl 2-(2-carbamoyl-5-chlorophenoxy)acetate
CID 47083412
methyl 2-[4-chloro-2-[(2-methoxyethylamino)methyl]phenoxy]acetate
CID 63058240
methyl 2-(3-chloro-4-fluorophenoxy)acetate
CID 43235932

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[3-[(4-chloro-2-fluorophenyl)methyl]-8-fluoro-4-methyl-2-oxo-1H-quinolin-5-yl]oxy]acetate?
The IUPAC name of methyl 2-[[3-[(4-chloro-2-fluorophenyl)methyl]-8-fluoro-4-methyl-2-oxo-1H-quinolin-5-yl]oxy]acetate (CID 68781661) is methyl 2-[[3-[(4-chloro-2-fluorophenyl)methyl]-8-fluoro-4-methyl-2-oxo-1H-quinolin-5-yl]oxy]acetate.
What is the SMILES notation for methyl 2-[[3-[(4-chloro-2-fluorophenyl)methyl]-8-fluoro-4-methyl-2-oxo-1H-quinolin-5-yl]oxy]acetate?
The canonical SMILES for methyl 2-[[3-[(4-chloro-2-fluorophenyl)methyl]-8-fluoro-4-methyl-2-oxo-1H-quinolin-5-yl]oxy]acetate is COC(=O)COc1ccc(F)c2[nH]c(=O)c(Cc3ccc(Cl)cc3F)c(C)c12.
What is the InChIKey of methyl 2-[[3-[(4-chloro-2-fluorophenyl)methyl]-8-fluoro-4-methyl-2-oxo-1H-quinolin-5-yl]oxy]acetate?
The InChIKey is RQFCFAUFFCBXAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClF2NO4/c1-10-13(7-11-3-4-12(21)8-15(11)23)20(26)24-19-14(22)5-6-16(18(10)19)28-9-17(25)27-2/h3-6,8H,7,9H2,1-2H3,(H,24,26).
What are the key properties of methyl 2-[[3-[(4-chloro-2-fluorophenyl)methyl]-8-fluoro-4-methyl-2-oxo-1H-quinolin-5-yl]oxy]acetate?
methyl 2-[[3-[(4-chloro-2-fluorophenyl)methyl]-8-fluoro-4-methyl-2-oxo-1H-quinolin-5-yl]oxy]acetate has a molecular weight of 407.80 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[3-[(4-chloro-2-fluorophenyl)methyl]-8-fluoro-4-methyl-2-oxo-1H-quinolin-5-yl]oxy]acetate is sourced from PubChem (CID 68781661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).