methyl 3-[3-(trifluoromethyl)phenoxy]quinoline-4-carboxylate

C18H12F3NO3 — CID 162357650

IUPACmethyl 3-[3-(trifluoromethyl)phenoxy]quinoline-4-carboxylate
SMILESCOC(=O)c1c(Oc2cccc(C(F)(F)F)c2)cnc2ccccc12
InChIInChI=1S/C18H12F3NO3/c1-24-17(23)16-13-7-2-3-8-14(13)22-10-15(16)25-12-6-4-5-11(9-12)18(19,20)21/h2-10H,1H3
InChIKeyUCFSDJGOAIERDY-UHFFFAOYSA-N
MW347.29 g/mol
LogP4.83
Rot. Bonds3

About methyl 3-[3-(trifluoromethyl)phenoxy]quinoline-4-carboxylate

methyl 3-[3-(trifluoromethyl)phenoxy]quinoline-4-carboxylate (PubChem CID 162357650) has the molecular formula C18H12F3NO3 and a molecular weight of 347.29 g/mol. Its IUPAC name is methyl 3-[3-(trifluoromethyl)phenoxy]quinoline-4-carboxylate.

Molecular Properties

Compound Namemethyl 3-[3-(trifluoromethyl)phenoxy]quinoline-4-carboxylate
PubChem CID162357650
Molecular FormulaC18H12F3NO3
Molecular Weight347.29 g/mol
Exact Mass347.08
IUPAC Namemethyl 3-[3-(trifluoromethyl)phenoxy]quinoline-4-carboxylate
SMILESCOC(=O)c1c(Oc2cccc(C(F)(F)F)c2)cnc2ccccc12
InChIInChI=1S/C18H12F3NO3/c1-24-17(23)16-13-7-2-3-8-14(13)22-10-15(16)25-12-6-4-5-11(9-12)18(19,20)21/h2-10H,1H3
InChIKeyUCFSDJGOAIERDY-UHFFFAOYSA-N
XLogP4.83
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.29
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-2-(2-chloro-4-methylphenyl)-2-fluoroethyl]-3-[3-(trifluoromethyl)phenoxy]quinoline-4-carboxamide
CID 162357631
fluoro 6-[3-(trifluoromethyl)phenoxy]furo[3,2-b]pyridine-7-carboxylate
CID 162385403
3-[3-(difluoromethyl)phenoxy]quinoline-4-carboxylic acid
CID 162357719
methyl 2-[2-[3-[3-(trifluoromethyl)phenoxy]phenoxy]phenyl]acetate
CID 151514749
N-(6-methylnaphthalen-1-yl)-7-[3-(trifluoromethyl)phenoxy]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine-8-carboxamide
CID 166859370
[3-(trifluoromethyl)phenyl] 3-phenylcinnoline-4-carboxylate
CID 2822751
ethyl 2-[3-(trifluoromethyl)phenoxy]benzoate
CID 133061108
3-[3-(trifluoromethyl)phenoxy]-N-[[4-(trifluoromethyl)phenyl]methoxy]cinnoline-4-carboxamide
CID 168803266
[2-[3-(trifluoromethyl)phenoxy]phenyl]methanol
CID 3700252
4-methyl-5-[3-(trifluoromethyl)phenoxy]quinoline
CID 151866789
methyl acridine-9-carboxylate
CID 21211
5-methyl-4-[3-(trifluoromethyl)phenoxy]pyridin-2-amine
CID 155344405

Frequently Asked Questions

What is the IUPAC name of methyl 3-[3-(trifluoromethyl)phenoxy]quinoline-4-carboxylate?
The IUPAC name of methyl 3-[3-(trifluoromethyl)phenoxy]quinoline-4-carboxylate (CID 162357650) is methyl 3-[3-(trifluoromethyl)phenoxy]quinoline-4-carboxylate.
What is the SMILES notation for methyl 3-[3-(trifluoromethyl)phenoxy]quinoline-4-carboxylate?
The canonical SMILES for methyl 3-[3-(trifluoromethyl)phenoxy]quinoline-4-carboxylate is COC(=O)c1c(Oc2cccc(C(F)(F)F)c2)cnc2ccccc12.
What is the InChIKey of methyl 3-[3-(trifluoromethyl)phenoxy]quinoline-4-carboxylate?
The InChIKey is UCFSDJGOAIERDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F3NO3/c1-24-17(23)16-13-7-2-3-8-14(13)22-10-15(16)25-12-6-4-5-11(9-12)18(19,20)21/h2-10H,1H3.
What are the key properties of methyl 3-[3-(trifluoromethyl)phenoxy]quinoline-4-carboxylate?
methyl 3-[3-(trifluoromethyl)phenoxy]quinoline-4-carboxylate has a molecular weight of 347.29 g/mol, XLogP of 4.83, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[3-(trifluoromethyl)phenoxy]quinoline-4-carboxylate is sourced from PubChem (CID 162357650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).