6-[2-[2-(3-fluorophenyl)azetidin-1-yl]ethoxy]-3,4-dihydro-1H-quinolin-2-one

C20H21FN2O2 — CID 163397251

IUPAC6-[2-[2-(3-fluorophenyl)azetidin-1-yl]ethoxy]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(OCCN3CCC3c3cccc(F)c3)ccc2N1
InChIInChI=1S/C20H21FN2O2/c21-16-3-1-2-15(12-16)19-8-9-23(19)10-11-25-17-5-6-18-14(13-17)4-7-20(24)22-18/h1-3,5-6,12-13,19H,4,7-11H2,(H,22,24)
InChIKeyXPQOFEQSWSALLG-UHFFFAOYSA-N
MW340.40 g/mol
LogP3.54
Rot. Bonds5

About 6-[2-[2-(3-fluorophenyl)azetidin-1-yl]ethoxy]-3,4-dihydro-1H-quinolin-2-one

6-[2-[2-(3-fluorophenyl)azetidin-1-yl]ethoxy]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 163397251) has the molecular formula C20H21FN2O2 and a molecular weight of 340.40 g/mol. Its IUPAC name is 6-[2-[2-(3-fluorophenyl)azetidin-1-yl]ethoxy]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[2-[2-(3-fluorophenyl)azetidin-1-yl]ethoxy]-3,4-dihydro-1H-quinolin-2-one
PubChem CID163397251
Molecular FormulaC20H21FN2O2
Molecular Weight340.40 g/mol
Exact Mass340.16
IUPAC Name6-[2-[2-(3-fluorophenyl)azetidin-1-yl]ethoxy]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(OCCN3CCC3c3cccc(F)c3)ccc2N1
InChIInChI=1S/C20H21FN2O2/c21-16-3-1-2-15(12-16)19-8-9-23(19)10-11-25-17-5-6-18-14(13-17)4-7-20(24)22-18/h1-3,5-6,12-13,19H,4,7-11H2,(H,22,24)
InChIKeyXPQOFEQSWSALLG-UHFFFAOYSA-N
XLogP3.54
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[2-[2-(3-fluorophenyl)azetidin-1-yl]ethoxy]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-[2-[2-(3-fluorophenyl)azetidin-1-yl]ethoxy]-3,4-dihydro-1H-quinolin-2-one (CID 163397251) is 6-[2-[2-(3-fluorophenyl)azetidin-1-yl]ethoxy]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-[2-[2-(3-fluorophenyl)azetidin-1-yl]ethoxy]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-[2-[2-(3-fluorophenyl)azetidin-1-yl]ethoxy]-3,4-dihydro-1H-quinolin-2-one is O=C1CCc2cc(OCCN3CCC3c3cccc(F)c3)ccc2N1.
What is the InChIKey of 6-[2-[2-(3-fluorophenyl)azetidin-1-yl]ethoxy]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is XPQOFEQSWSALLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O2/c21-16-3-1-2-15(12-16)19-8-9-23(19)10-11-25-17-5-6-18-14(13-17)4-7-20(24)22-18/h1-3,5-6,12-13,19H,4,7-11H2,(H,22,24).
What are the key properties of 6-[2-[2-(3-fluorophenyl)azetidin-1-yl]ethoxy]-3,4-dihydro-1H-quinolin-2-one?
6-[2-[2-(3-fluorophenyl)azetidin-1-yl]ethoxy]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 340.40 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[2-(3-fluorophenyl)azetidin-1-yl]ethoxy]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 163397251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).