methyl 2-[4-methyl-2-(trifluoromethyl)quinolin-3-yl]acetate

C14H12F3NO2 — CID 97033673

IUPACmethyl 2-[4-methyl-2-(trifluoromethyl)quinolin-3-yl]acetate
SMILESCOC(=O)Cc1c(C(F)(F)F)nc2ccccc2c1C
InChIInChI=1S/C14H12F3NO2/c1-8-9-5-3-4-6-11(9)18-13(14(15,16)17)10(8)7-12(19)20-2/h3-6H,7H2,1-2H3
InChIKeyIVCDVCIBUZLGME-UHFFFAOYSA-N
MW283.25 g/mol
LogP3.28
Rot. Bonds2

About methyl 2-[4-methyl-2-(trifluoromethyl)quinolin-3-yl]acetate

methyl 2-[4-methyl-2-(trifluoromethyl)quinolin-3-yl]acetate (PubChem CID 97033673) has the molecular formula C14H12F3NO2 and a molecular weight of 283.25 g/mol. Its IUPAC name is methyl 2-[4-methyl-2-(trifluoromethyl)quinolin-3-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-methyl-2-(trifluoromethyl)quinolin-3-yl]acetate
PubChem CID97033673
Molecular FormulaC14H12F3NO2
Molecular Weight283.25 g/mol
Exact Mass283.08
IUPAC Namemethyl 2-[4-methyl-2-(trifluoromethyl)quinolin-3-yl]acetate
SMILESCOC(=O)Cc1c(C(F)(F)F)nc2ccccc2c1C
InChIInChI=1S/C14H12F3NO2/c1-8-9-5-3-4-6-11(9)18-13(14(15,16)17)10(8)7-12(19)20-2/h3-6H,7H2,1-2H3
InChIKeyIVCDVCIBUZLGME-UHFFFAOYSA-N
XLogP3.28
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.25
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(2-bromoquinolin-4-yl)acetate
CID 90316081
methyl 2-[2-methyl-4-(1-phenylethylamino)quinolin-3-yl]acetate
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methyl 2-[4-(2,6-difluoroanilino)-2-methylquinolin-3-yl]acetate
CID 110435345
methyl 2-[4-(butylamino)-2-methylquinolin-3-yl]acetate
CID 110432495
dimethyl 5-[2-(2,4-dimethylquinolin-3-yl)acetyl]oxybenzene-1,3-dicarboxylate
CID 37242161
methyl 2-(2-methyl-4-pyrrolidin-1-ylquinolin-3-yl)acetate
CID 110433990
methyl 2-[2-methyl-4-[(4-methylpiperazin-1-yl)amino]quinolin-3-yl]acetate
CID 110435937
3,4-dimethoxy-2-(trifluoromethyl)quinoline
CID 69305906
methyl 2-[4-(4-methoxyanilino)-2-methylquinolin-3-yl]acetate
CID 110435325
methyl 2-(4-chloroquinazolin-2-yl)acetate
CID 71748503
methyl 2-[4-(3-fluoroanilino)-2-methylquinolin-3-yl]acetate
CID 110435333
3-[3-(3-benzoyloxypropyl)-2-(trifluoromethyl)quinolin-4-yl]propyl benzoate
CID 162414553

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-methyl-2-(trifluoromethyl)quinolin-3-yl]acetate?
The IUPAC name of methyl 2-[4-methyl-2-(trifluoromethyl)quinolin-3-yl]acetate (CID 97033673) is methyl 2-[4-methyl-2-(trifluoromethyl)quinolin-3-yl]acetate.
What is the SMILES notation for methyl 2-[4-methyl-2-(trifluoromethyl)quinolin-3-yl]acetate?
The canonical SMILES for methyl 2-[4-methyl-2-(trifluoromethyl)quinolin-3-yl]acetate is COC(=O)Cc1c(C(F)(F)F)nc2ccccc2c1C.
What is the InChIKey of methyl 2-[4-methyl-2-(trifluoromethyl)quinolin-3-yl]acetate?
The InChIKey is IVCDVCIBUZLGME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3NO2/c1-8-9-5-3-4-6-11(9)18-13(14(15,16)17)10(8)7-12(19)20-2/h3-6H,7H2,1-2H3.
What are the key properties of methyl 2-[4-methyl-2-(trifluoromethyl)quinolin-3-yl]acetate?
methyl 2-[4-methyl-2-(trifluoromethyl)quinolin-3-yl]acetate has a molecular weight of 283.25 g/mol, XLogP of 3.28, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-methyl-2-(trifluoromethyl)quinolin-3-yl]acetate is sourced from PubChem (CID 97033673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).