methyl 2-[4-methyl-7-(trifluoromethyl)quinolin-2-yl]acetate

C14H12F3NO2 — CID 82575136

IUPACmethyl 2-[4-methyl-7-(trifluoromethyl)quinolin-2-yl]acetate
SMILESCOC(=O)Cc1cc(C)c2ccc(C(F)(F)F)cc2n1
InChIInChI=1S/C14H12F3NO2/c1-8-5-10(7-13(19)20-2)18-12-6-9(14(15,16)17)3-4-11(8)12/h3-6H,7H2,1-2H3
InChIKeyHSGNHQCTIHXZAU-UHFFFAOYSA-N
MW283.25 g/mol
LogP3.28
Rot. Bonds2

About methyl 2-[4-methyl-7-(trifluoromethyl)quinolin-2-yl]acetate

methyl 2-[4-methyl-7-(trifluoromethyl)quinolin-2-yl]acetate (PubChem CID 82575136) has the molecular formula C14H12F3NO2 and a molecular weight of 283.25 g/mol. Its IUPAC name is methyl 2-[4-methyl-7-(trifluoromethyl)quinolin-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-methyl-7-(trifluoromethyl)quinolin-2-yl]acetate
PubChem CID82575136
Molecular FormulaC14H12F3NO2
Molecular Weight283.25 g/mol
Exact Mass283.08
IUPAC Namemethyl 2-[4-methyl-7-(trifluoromethyl)quinolin-2-yl]acetate
SMILESCOC(=O)Cc1cc(C)c2ccc(C(F)(F)F)cc2n1
InChIInChI=1S/C14H12F3NO2/c1-8-5-10(7-13(19)20-2)18-12-6-9(14(15,16)17)3-4-11(8)12/h3-6H,7H2,1-2H3
InChIKeyHSGNHQCTIHXZAU-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-(4,6-dimethylquinolin-2-yl)acetate
CID 82575101
methyl 2-(6-ethyl-4-methylquinolin-2-yl)acetate
CID 59382493
methyl 2-[6-(difluoromethyl)-4-(trifluoromethyl)-2-pyridinyl]acetate
CID 171029487
2-(7-methoxy-4-methylquinolin-2-yl)acetic acid
CID 82574913
methyl 3-[6-(trifluoromethyl)quinolin-2-yl]propanoate
CID 82249527
methyl 2-[4-methyl-6-(2-methylpropoxy)quinolin-2-yl]acetate
CID 82575144
methyl 2-(6-butyl-4-methylquinolin-2-yl)acetate
CID 82575128
methyl 2-[2-nitroso-4-(trifluoromethyl)phenyl]acetate
CID 142259735
methyl 2-[2-(trifluoromethoxy)-4-(trifluoromethyl)phenyl]acetate
CID 170999571
methyl 2-[4-iodo-6-(trifluoromethyl)-2-pyridinyl]acetate
CID 133097135
methyl 2-(5,7-dichloroquinolin-2-yl)acetate
CID 82247403
methyl 2-[2-ethoxy-5-(trifluoromethyl)phenyl]acetate
CID 82646434

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-methyl-7-(trifluoromethyl)quinolin-2-yl]acetate?
The IUPAC name of methyl 2-[4-methyl-7-(trifluoromethyl)quinolin-2-yl]acetate (CID 82575136) is methyl 2-[4-methyl-7-(trifluoromethyl)quinolin-2-yl]acetate.
What is the SMILES notation for methyl 2-[4-methyl-7-(trifluoromethyl)quinolin-2-yl]acetate?
The canonical SMILES for methyl 2-[4-methyl-7-(trifluoromethyl)quinolin-2-yl]acetate is COC(=O)Cc1cc(C)c2ccc(C(F)(F)F)cc2n1.
What is the InChIKey of methyl 2-[4-methyl-7-(trifluoromethyl)quinolin-2-yl]acetate?
The InChIKey is HSGNHQCTIHXZAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3NO2/c1-8-5-10(7-13(19)20-2)18-12-6-9(14(15,16)17)3-4-11(8)12/h3-6H,7H2,1-2H3.
What are the key properties of methyl 2-[4-methyl-7-(trifluoromethyl)quinolin-2-yl]acetate?
methyl 2-[4-methyl-7-(trifluoromethyl)quinolin-2-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-7-(trifluoromethyl)quinolin-2-yl]acetate is sourced from PubChem (CID 82575136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).