ethyl 7-[(4-fluorophenyl)methoxy]-2-methylquinoline-3-carboxylate

C20H18FNO3 — CID 86301015

IUPACethyl 7-[(4-fluorophenyl)methoxy]-2-methylquinoline-3-carboxylate
SMILESCCOC(=O)c1cc2ccc(OCc3ccc(F)cc3)cc2nc1C
InChIInChI=1S/C20H18FNO3/c1-3-24-20(23)18-10-15-6-9-17(11-19(15)22-13(18)2)25-12-14-4-7-16(21)8-5-14/h4-11H,3,12H2,1-2H3
InChIKeyXUKJQYNSKLQWDY-UHFFFAOYSA-N
MW339.37 g/mol
LogP4.44
Rot. Bonds5

About ethyl 7-[(4-fluorophenyl)methoxy]-2-methylquinoline-3-carboxylate

ethyl 7-[(4-fluorophenyl)methoxy]-2-methylquinoline-3-carboxylate (PubChem CID 86301015) has the molecular formula C20H18FNO3 and a molecular weight of 339.37 g/mol. Its IUPAC name is ethyl 7-[(4-fluorophenyl)methoxy]-2-methylquinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 7-[(4-fluorophenyl)methoxy]-2-methylquinoline-3-carboxylate
PubChem CID86301015
Molecular FormulaC20H18FNO3
Molecular Weight339.37 g/mol
Exact Mass339.13
IUPAC Nameethyl 7-[(4-fluorophenyl)methoxy]-2-methylquinoline-3-carboxylate
SMILESCCOC(=O)c1cc2ccc(OCc3ccc(F)cc3)cc2nc1C
InChIInChI=1S/C20H18FNO3/c1-3-24-20(23)18-10-15-6-9-17(11-19(15)22-13(18)2)25-12-14-4-7-16(21)8-5-14/h4-11H,3,12H2,1-2H3
InChIKeyXUKJQYNSKLQWDY-UHFFFAOYSA-N
XLogP4.44
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 7-[(4-fluorophenyl)methoxy]-2-methylquinoline-3-carboxylate?
The IUPAC name of ethyl 7-[(4-fluorophenyl)methoxy]-2-methylquinoline-3-carboxylate (CID 86301015) is ethyl 7-[(4-fluorophenyl)methoxy]-2-methylquinoline-3-carboxylate.
What is the SMILES notation for ethyl 7-[(4-fluorophenyl)methoxy]-2-methylquinoline-3-carboxylate?
The canonical SMILES for ethyl 7-[(4-fluorophenyl)methoxy]-2-methylquinoline-3-carboxylate is CCOC(=O)c1cc2ccc(OCc3ccc(F)cc3)cc2nc1C.
What is the InChIKey of ethyl 7-[(4-fluorophenyl)methoxy]-2-methylquinoline-3-carboxylate?
The InChIKey is XUKJQYNSKLQWDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FNO3/c1-3-24-20(23)18-10-15-6-9-17(11-19(15)22-13(18)2)25-12-14-4-7-16(21)8-5-14/h4-11H,3,12H2,1-2H3.
What are the key properties of ethyl 7-[(4-fluorophenyl)methoxy]-2-methylquinoline-3-carboxylate?
ethyl 7-[(4-fluorophenyl)methoxy]-2-methylquinoline-3-carboxylate has a molecular weight of 339.37 g/mol, XLogP of 4.44, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-[(4-fluorophenyl)methoxy]-2-methylquinoline-3-carboxylate is sourced from PubChem (CID 86301015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).