methyl 7-(trifluoromethoxy)quinoline-4-carboxylate

C12H8F3NO3 — CID 53418982

IUPACmethyl 7-(trifluoromethoxy)quinoline-4-carboxylate
SMILESCOC(=O)c1ccnc2cc(OC(F)(F)F)ccc12
InChIInChI=1S/C12H8F3NO3/c1-18-11(17)9-4-5-16-10-6-7(2-3-8(9)10)19-12(13,14)15/h2-6H,1H3
InChIKeyQSZNWPHSWWDWRA-UHFFFAOYSA-N
MW271.19 g/mol
LogP2.92
Rot. Bonds2

About methyl 7-(trifluoromethoxy)quinoline-4-carboxylate

methyl 7-(trifluoromethoxy)quinoline-4-carboxylate (PubChem CID 53418982) has the molecular formula C12H8F3NO3 and a molecular weight of 271.19 g/mol. Its IUPAC name is methyl 7-(trifluoromethoxy)quinoline-4-carboxylate.

Molecular Properties

Compound Namemethyl 7-(trifluoromethoxy)quinoline-4-carboxylate
PubChem CID53418982
Molecular FormulaC12H8F3NO3
Molecular Weight271.19 g/mol
Exact Mass271.05
IUPAC Namemethyl 7-(trifluoromethoxy)quinoline-4-carboxylate
SMILESCOC(=O)c1ccnc2cc(OC(F)(F)F)ccc12
InChIInChI=1S/C12H8F3NO3/c1-18-11(17)9-4-5-16-10-6-7(2-3-8(9)10)19-12(13,14)15/h2-6H,1H3
InChIKeyQSZNWPHSWWDWRA-UHFFFAOYSA-N
XLogP2.92
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.19
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 7-[1-(trifluoromethoxy)ethyl]quinoline-4-carboxylate
CID 170451400
dimethyl quinoline-4,7-dicarboxylate
CID 100951662
methyl 7-acetylquinoline-4-carboxylate
CID 170539761
methyl 2-amino-3-(trifluoromethoxy)pyridine-4-carboxylate
CID 171028893
methyl 6-(1,3-difluoropropan-2-yloxy)quinoline-4-carboxylate
CID 170633382
methyl 4-bromo-6-(trifluoromethoxy)quinoline-3-carboxylate
CID 102614396
methyl 6,7-dimethoxyquinoline-4-carboxylate
CID 59756874
methyl 2-[2-methyl-5-(trifluoromethoxy)indazol-3-yl]-1H-pyrrolo[3,2-b]pyridine-7-carboxylate
CID 137014405
methyl 6-(2-fluoroethoxy)quinoline-4-carboxylate
CID 170633336
methyl 2-sulfanyl-4-(trifluoromethoxy)benzoate
CID 170999373
methyl 2-propan-2-yl-5-(trifluoromethoxy)benzoate
CID 18925610
methyl 1-[4-(trifluoromethoxy)anilino]isoquinoline-6-carboxylate
CID 156565059

Frequently Asked Questions

What is the IUPAC name of methyl 7-(trifluoromethoxy)quinoline-4-carboxylate?
The IUPAC name of methyl 7-(trifluoromethoxy)quinoline-4-carboxylate (CID 53418982) is methyl 7-(trifluoromethoxy)quinoline-4-carboxylate.
What is the SMILES notation for methyl 7-(trifluoromethoxy)quinoline-4-carboxylate?
The canonical SMILES for methyl 7-(trifluoromethoxy)quinoline-4-carboxylate is COC(=O)c1ccnc2cc(OC(F)(F)F)ccc12.
What is the InChIKey of methyl 7-(trifluoromethoxy)quinoline-4-carboxylate?
The InChIKey is QSZNWPHSWWDWRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F3NO3/c1-18-11(17)9-4-5-16-10-6-7(2-3-8(9)10)19-12(13,14)15/h2-6H,1H3.
What are the key properties of methyl 7-(trifluoromethoxy)quinoline-4-carboxylate?
methyl 7-(trifluoromethoxy)quinoline-4-carboxylate has a molecular weight of 271.19 g/mol, XLogP of 2.92, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-(trifluoromethoxy)quinoline-4-carboxylate is sourced from PubChem (CID 53418982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).