1-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]quinolin-2-one

C20H14FN3O2 — CID 141365923

IUPAC1-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]quinolin-2-one
SMILESCOc1ccc(F)cc1-c1cc(-n2c(=O)ccc3ccccc32)ncn1
InChIInChI=1S/C20H14FN3O2/c1-26-18-8-7-14(21)10-15(18)16-11-19(23-12-22-16)24-17-5-3-2-4-13(17)6-9-20(24)25/h2-12H,1H3
InChIKeyWXQIZSDNFYVSBK-UHFFFAOYSA-N
MW347.35 g/mol
LogP3.60
Rot. Bonds3

About 1-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]quinolin-2-one

1-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]quinolin-2-one (PubChem CID 141365923) has the molecular formula C20H14FN3O2 and a molecular weight of 347.35 g/mol. Its IUPAC name is 1-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]quinolin-2-one.

Molecular Properties

Compound Name1-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]quinolin-2-one
PubChem CID141365923
Molecular FormulaC20H14FN3O2
Molecular Weight347.35 g/mol
Exact Mass347.11
IUPAC Name1-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]quinolin-2-one
SMILESCOc1ccc(F)cc1-c1cc(-n2c(=O)ccc3ccccc32)ncn1
InChIInChI=1S/C20H14FN3O2/c1-26-18-8-7-14(21)10-15(18)16-11-19(23-12-22-16)24-17-5-3-2-4-13(17)6-9-20(24)25/h2-12H,1H3
InChIKeyWXQIZSDNFYVSBK-UHFFFAOYSA-N
XLogP3.60
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.35
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]quinolin-2-one?
The IUPAC name of 1-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]quinolin-2-one (CID 141365923) is 1-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]quinolin-2-one.
What is the SMILES notation for 1-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]quinolin-2-one?
The canonical SMILES for 1-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]quinolin-2-one is COc1ccc(F)cc1-c1cc(-n2c(=O)ccc3ccccc32)ncn1.
What is the InChIKey of 1-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]quinolin-2-one?
The InChIKey is WXQIZSDNFYVSBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14FN3O2/c1-26-18-8-7-14(21)10-15(18)16-11-19(23-12-22-16)24-17-5-3-2-4-13(17)6-9-20(24)25/h2-12H,1H3.
What are the key properties of 1-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]quinolin-2-one?
1-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]quinolin-2-one has a molecular weight of 347.35 g/mol, XLogP of 3.60, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]quinolin-2-one is sourced from PubChem (CID 141365923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).