ethyl 7-[2-(3-fluorophenyl)ethoxy]quinoline-3-carboxylate

C20H18FNO3 — CID 86301018

IUPACethyl 7-[2-(3-fluorophenyl)ethoxy]quinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2cc(OCCc3cccc(F)c3)ccc2c1
InChIInChI=1S/C20H18FNO3/c1-2-24-20(23)16-11-15-6-7-18(12-19(15)22-13-16)25-9-8-14-4-3-5-17(21)10-14/h3-7,10-13H,2,8-9H2,1H3
InChIKeyMACNHPZRDQGKPY-UHFFFAOYSA-N
MW339.37 g/mol
LogP4.17
Rot. Bonds6

About ethyl 7-[2-(3-fluorophenyl)ethoxy]quinoline-3-carboxylate

ethyl 7-[2-(3-fluorophenyl)ethoxy]quinoline-3-carboxylate (PubChem CID 86301018) has the molecular formula C20H18FNO3 and a molecular weight of 339.37 g/mol. Its IUPAC name is ethyl 7-[2-(3-fluorophenyl)ethoxy]quinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 7-[2-(3-fluorophenyl)ethoxy]quinoline-3-carboxylate
PubChem CID86301018
Molecular FormulaC20H18FNO3
Molecular Weight339.37 g/mol
Exact Mass339.13
IUPAC Nameethyl 7-[2-(3-fluorophenyl)ethoxy]quinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2cc(OCCc3cccc(F)c3)ccc2c1
InChIInChI=1S/C20H18FNO3/c1-2-24-20(23)16-11-15-6-7-18(12-19(15)22-13-16)25-9-8-14-4-3-5-17(21)10-14/h3-7,10-13H,2,8-9H2,1H3
InChIKeyMACNHPZRDQGKPY-UHFFFAOYSA-N
XLogP4.17
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 7-[2-(3-fluorophenyl)ethoxy]quinoline-3-carboxylate?
The IUPAC name of ethyl 7-[2-(3-fluorophenyl)ethoxy]quinoline-3-carboxylate (CID 86301018) is ethyl 7-[2-(3-fluorophenyl)ethoxy]quinoline-3-carboxylate.
What is the SMILES notation for ethyl 7-[2-(3-fluorophenyl)ethoxy]quinoline-3-carboxylate?
The canonical SMILES for ethyl 7-[2-(3-fluorophenyl)ethoxy]quinoline-3-carboxylate is CCOC(=O)c1cnc2cc(OCCc3cccc(F)c3)ccc2c1.
What is the InChIKey of ethyl 7-[2-(3-fluorophenyl)ethoxy]quinoline-3-carboxylate?
The InChIKey is MACNHPZRDQGKPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FNO3/c1-2-24-20(23)16-11-15-6-7-18(12-19(15)22-13-16)25-9-8-14-4-3-5-17(21)10-14/h3-7,10-13H,2,8-9H2,1H3.
What are the key properties of ethyl 7-[2-(3-fluorophenyl)ethoxy]quinoline-3-carboxylate?
ethyl 7-[2-(3-fluorophenyl)ethoxy]quinoline-3-carboxylate has a molecular weight of 339.37 g/mol, XLogP of 4.17, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-[2-(3-fluorophenyl)ethoxy]quinoline-3-carboxylate is sourced from PubChem (CID 86301018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).