2-[6-(4-fluorophenoxy)-3-pyridinyl]-3-methyl-1H-quinolin-4-one

C21H15FN2O2 — CID 67617640

IUPAC2-[6-(4-fluorophenoxy)-3-pyridinyl]-3-methyl-1H-quinolin-4-one
SMILESCc1c(-c2ccc(Oc3ccc(F)cc3)nc2)[nH]c2ccccc2c1=O
InChIInChI=1S/C21H15FN2O2/c1-13-20(24-18-5-3-2-4-17(18)21(13)25)14-6-11-19(23-12-14)26-16-9-7-15(22)8-10-16/h2-12H,1H3,(H,24,25)
InChIKeyIZFXCORERXYATG-UHFFFAOYSA-N
MW346.36 g/mol
LogP4.83
Rot. Bonds3

About 2-[6-(4-fluorophenoxy)-3-pyridinyl]-3-methyl-1H-quinolin-4-one

2-[6-(4-fluorophenoxy)-3-pyridinyl]-3-methyl-1H-quinolin-4-one (PubChem CID 67617640) has the molecular formula C21H15FN2O2 and a molecular weight of 346.36 g/mol. Its IUPAC name is 2-[6-(4-fluorophenoxy)-3-pyridinyl]-3-methyl-1H-quinolin-4-one.

Molecular Properties

Compound Name2-[6-(4-fluorophenoxy)-3-pyridinyl]-3-methyl-1H-quinolin-4-one
PubChem CID67617640
Molecular FormulaC21H15FN2O2
Molecular Weight346.36 g/mol
Exact Mass346.11
IUPAC Name2-[6-(4-fluorophenoxy)-3-pyridinyl]-3-methyl-1H-quinolin-4-one
SMILESCc1c(-c2ccc(Oc3ccc(F)cc3)nc2)[nH]c2ccccc2c1=O
InChIInChI=1S/C21H15FN2O2/c1-13-20(24-18-5-3-2-4-17(18)21(13)25)14-6-11-19(23-12-14)26-16-9-7-15(22)8-10-16/h2-12H,1H3,(H,24,25)
InChIKeyIZFXCORERXYATG-UHFFFAOYSA-N
XLogP4.83
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.36
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(4-fluorophenoxy)-3-pyridinyl]-3-methyl-1H-quinolin-4-one?
The IUPAC name of 2-[6-(4-fluorophenoxy)-3-pyridinyl]-3-methyl-1H-quinolin-4-one (CID 67617640) is 2-[6-(4-fluorophenoxy)-3-pyridinyl]-3-methyl-1H-quinolin-4-one.
What is the SMILES notation for 2-[6-(4-fluorophenoxy)-3-pyridinyl]-3-methyl-1H-quinolin-4-one?
The canonical SMILES for 2-[6-(4-fluorophenoxy)-3-pyridinyl]-3-methyl-1H-quinolin-4-one is Cc1c(-c2ccc(Oc3ccc(F)cc3)nc2)[nH]c2ccccc2c1=O.
What is the InChIKey of 2-[6-(4-fluorophenoxy)-3-pyridinyl]-3-methyl-1H-quinolin-4-one?
The InChIKey is IZFXCORERXYATG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15FN2O2/c1-13-20(24-18-5-3-2-4-17(18)21(13)25)14-6-11-19(23-12-14)26-16-9-7-15(22)8-10-16/h2-12H,1H3,(H,24,25).
What are the key properties of 2-[6-(4-fluorophenoxy)-3-pyridinyl]-3-methyl-1H-quinolin-4-one?
2-[6-(4-fluorophenoxy)-3-pyridinyl]-3-methyl-1H-quinolin-4-one has a molecular weight of 346.36 g/mol, XLogP of 4.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(4-fluorophenoxy)-3-pyridinyl]-3-methyl-1H-quinolin-4-one is sourced from PubChem (CID 67617640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).