2-[7-[[2-(fluoromethyl)-4-pyridinyl]methoxy]quinolin-3-yl]acetamide

C18H16FN3O2 — CID 90448104

IUPAC2-[7-[[2-(fluoromethyl)-4-pyridinyl]methoxy]quinolin-3-yl]acetamide
SMILESNC(=O)Cc1cnc2cc(OCc3ccnc(CF)c3)ccc2c1
InChIInChI=1S/C18H16FN3O2/c19-9-15-6-12(3-4-21-15)11-24-16-2-1-14-5-13(7-18(20)23)10-22-17(14)8-16/h1-6,8,10H,7,9,11H2,(H2,20,23)
InChIKeyDIQCJJHOQVEOHN-UHFFFAOYSA-N
MW325.34 g/mol
LogP2.71
Rot. Bonds6

About 2-[7-[[2-(fluoromethyl)-4-pyridinyl]methoxy]quinolin-3-yl]acetamide

2-[7-[[2-(fluoromethyl)-4-pyridinyl]methoxy]quinolin-3-yl]acetamide (PubChem CID 90448104) has the molecular formula C18H16FN3O2 and a molecular weight of 325.34 g/mol. Its IUPAC name is 2-[7-[[2-(fluoromethyl)-4-pyridinyl]methoxy]quinolin-3-yl]acetamide.

Molecular Properties

Compound Name2-[7-[[2-(fluoromethyl)-4-pyridinyl]methoxy]quinolin-3-yl]acetamide
PubChem CID90448104
Molecular FormulaC18H16FN3O2
Molecular Weight325.34 g/mol
Exact Mass325.12
IUPAC Name2-[7-[[2-(fluoromethyl)-4-pyridinyl]methoxy]quinolin-3-yl]acetamide
SMILESNC(=O)Cc1cnc2cc(OCc3ccnc(CF)c3)ccc2c1
InChIInChI=1S/C18H16FN3O2/c19-9-15-6-12(3-4-21-15)11-24-16-2-1-14-5-13(7-18(20)23)10-22-17(14)8-16/h1-6,8,10H,7,9,11H2,(H2,20,23)
InChIKeyDIQCJJHOQVEOHN-UHFFFAOYSA-N
XLogP2.71
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.34
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[7-[[2-(fluoromethyl)-4-pyridinyl]methoxy]quinolin-3-yl]acetamide?
The IUPAC name of 2-[7-[[2-(fluoromethyl)-4-pyridinyl]methoxy]quinolin-3-yl]acetamide (CID 90448104) is 2-[7-[[2-(fluoromethyl)-4-pyridinyl]methoxy]quinolin-3-yl]acetamide.
What is the SMILES notation for 2-[7-[[2-(fluoromethyl)-4-pyridinyl]methoxy]quinolin-3-yl]acetamide?
The canonical SMILES for 2-[7-[[2-(fluoromethyl)-4-pyridinyl]methoxy]quinolin-3-yl]acetamide is NC(=O)Cc1cnc2cc(OCc3ccnc(CF)c3)ccc2c1.
What is the InChIKey of 2-[7-[[2-(fluoromethyl)-4-pyridinyl]methoxy]quinolin-3-yl]acetamide?
The InChIKey is DIQCJJHOQVEOHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O2/c19-9-15-6-12(3-4-21-15)11-24-16-2-1-14-5-13(7-18(20)23)10-22-17(14)8-16/h1-6,8,10H,7,9,11H2,(H2,20,23).
What are the key properties of 2-[7-[[2-(fluoromethyl)-4-pyridinyl]methoxy]quinolin-3-yl]acetamide?
2-[7-[[2-(fluoromethyl)-4-pyridinyl]methoxy]quinolin-3-yl]acetamide has a molecular weight of 325.34 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-[[2-(fluoromethyl)-4-pyridinyl]methoxy]quinolin-3-yl]acetamide is sourced from PubChem (CID 90448104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).