methyl 6-(2-fluoroethoxy)quinoline-4-carboxylate

C13H12FNO3 — CID 170633336

IUPACmethyl 6-(2-fluoroethoxy)quinoline-4-carboxylate
SMILESCOC(=O)c1ccnc2ccc(OCCF)cc12
InChIInChI=1S/C13H12FNO3/c1-17-13(16)10-4-6-15-12-3-2-9(8-11(10)12)18-7-5-14/h2-4,6,8H,5,7H2,1H3
InChIKeyUNWWVMGKJJQOBD-UHFFFAOYSA-N
MW249.24 g/mol
LogP2.37
Rot. Bonds4

About methyl 6-(2-fluoroethoxy)quinoline-4-carboxylate

methyl 6-(2-fluoroethoxy)quinoline-4-carboxylate (PubChem CID 170633336) has the molecular formula C13H12FNO3 and a molecular weight of 249.24 g/mol. Its IUPAC name is methyl 6-(2-fluoroethoxy)quinoline-4-carboxylate.

Molecular Properties

Compound Namemethyl 6-(2-fluoroethoxy)quinoline-4-carboxylate
PubChem CID170633336
Molecular FormulaC13H12FNO3
Molecular Weight249.24 g/mol
Exact Mass249.08
IUPAC Namemethyl 6-(2-fluoroethoxy)quinoline-4-carboxylate
SMILESCOC(=O)c1ccnc2ccc(OCCF)cc12
InChIInChI=1S/C13H12FNO3/c1-17-13(16)10-4-6-15-12-3-2-9(8-11(10)12)18-7-5-14/h2-4,6,8H,5,7H2,1H3
InChIKeyUNWWVMGKJJQOBD-UHFFFAOYSA-N
XLogP2.37
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.24
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 6-(2-fluoroethoxy)quinoline-4-carboxylate?
The IUPAC name of methyl 6-(2-fluoroethoxy)quinoline-4-carboxylate (CID 170633336) is methyl 6-(2-fluoroethoxy)quinoline-4-carboxylate.
What is the SMILES notation for methyl 6-(2-fluoroethoxy)quinoline-4-carboxylate?
The canonical SMILES for methyl 6-(2-fluoroethoxy)quinoline-4-carboxylate is COC(=O)c1ccnc2ccc(OCCF)cc12.
What is the InChIKey of methyl 6-(2-fluoroethoxy)quinoline-4-carboxylate?
The InChIKey is UNWWVMGKJJQOBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FNO3/c1-17-13(16)10-4-6-15-12-3-2-9(8-11(10)12)18-7-5-14/h2-4,6,8H,5,7H2,1H3.
What are the key properties of methyl 6-(2-fluoroethoxy)quinoline-4-carboxylate?
methyl 6-(2-fluoroethoxy)quinoline-4-carboxylate has a molecular weight of 249.24 g/mol, XLogP of 2.37, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(2-fluoroethoxy)quinoline-4-carboxylate is sourced from PubChem (CID 170633336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).