1-[2-[3-(2-fluorophenoxy)azetidin-1-yl]-2-oxoethyl]quinolin-4-one

C20H17FN2O3 — CID 90651811

IUPAC1-[2-[3-(2-fluorophenoxy)azetidin-1-yl]-2-oxoethyl]quinolin-4-one
SMILESO=C(Cn1ccc(=O)c2ccccc21)N1CC(Oc2ccccc2F)C1
InChIInChI=1S/C20H17FN2O3/c21-16-6-2-4-8-19(16)26-14-11-23(12-14)20(25)13-22-10-9-18(24)15-5-1-3-7-17(15)22/h1-10,14H,11-13H2
InChIKeyYIEWXZMAVGKDPY-UHFFFAOYSA-N
MW352.37 g/mol
LogP2.43
Rot. Bonds4

About 1-[2-[3-(2-fluorophenoxy)azetidin-1-yl]-2-oxoethyl]quinolin-4-one

1-[2-[3-(2-fluorophenoxy)azetidin-1-yl]-2-oxoethyl]quinolin-4-one (PubChem CID 90651811) has the molecular formula C20H17FN2O3 and a molecular weight of 352.37 g/mol. Its IUPAC name is 1-[2-[3-(2-fluorophenoxy)azetidin-1-yl]-2-oxoethyl]quinolin-4-one.

Molecular Properties

Compound Name1-[2-[3-(2-fluorophenoxy)azetidin-1-yl]-2-oxoethyl]quinolin-4-one
PubChem CID90651811
Molecular FormulaC20H17FN2O3
Molecular Weight352.37 g/mol
Exact Mass352.12
IUPAC Name1-[2-[3-(2-fluorophenoxy)azetidin-1-yl]-2-oxoethyl]quinolin-4-one
SMILESO=C(Cn1ccc(=O)c2ccccc21)N1CC(Oc2ccccc2F)C1
InChIInChI=1S/C20H17FN2O3/c21-16-6-2-4-8-19(16)26-14-11-23(12-14)20(25)13-22-10-9-18(24)15-5-1-3-7-17(15)22/h1-10,14H,11-13H2
InChIKeyYIEWXZMAVGKDPY-UHFFFAOYSA-N
XLogP2.43
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.37
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-(2-fluorophenoxy)azetidin-1-yl]-2-oxoethyl]quinolin-4-one?
The IUPAC name of 1-[2-[3-(2-fluorophenoxy)azetidin-1-yl]-2-oxoethyl]quinolin-4-one (CID 90651811) is 1-[2-[3-(2-fluorophenoxy)azetidin-1-yl]-2-oxoethyl]quinolin-4-one.
What is the SMILES notation for 1-[2-[3-(2-fluorophenoxy)azetidin-1-yl]-2-oxoethyl]quinolin-4-one?
The canonical SMILES for 1-[2-[3-(2-fluorophenoxy)azetidin-1-yl]-2-oxoethyl]quinolin-4-one is O=C(Cn1ccc(=O)c2ccccc21)N1CC(Oc2ccccc2F)C1.
What is the InChIKey of 1-[2-[3-(2-fluorophenoxy)azetidin-1-yl]-2-oxoethyl]quinolin-4-one?
The InChIKey is YIEWXZMAVGKDPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN2O3/c21-16-6-2-4-8-19(16)26-14-11-23(12-14)20(25)13-22-10-9-18(24)15-5-1-3-7-17(15)22/h1-10,14H,11-13H2.
What are the key properties of 1-[2-[3-(2-fluorophenoxy)azetidin-1-yl]-2-oxoethyl]quinolin-4-one?
1-[2-[3-(2-fluorophenoxy)azetidin-1-yl]-2-oxoethyl]quinolin-4-one has a molecular weight of 352.37 g/mol, XLogP of 2.43, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-(2-fluorophenoxy)azetidin-1-yl]-2-oxoethyl]quinolin-4-one is sourced from PubChem (CID 90651811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).