4,8-difluoro-3-(4-methoxyphenyl)-1H-quinolin-2-one

C16H11F2NO2 — CID 11219911

IUPAC4,8-difluoro-3-(4-methoxyphenyl)-1H-quinolin-2-one
SMILESCOc1ccc(-c2c(F)c3cccc(F)c3[nH]c2=O)cc1
InChIInChI=1S/C16H11F2NO2/c1-21-10-7-5-9(6-8-10)13-14(18)11-3-2-4-12(17)15(11)19-16(13)20/h2-8H,1H3,(H,19,20)
InChIKeyXFGPHAVXHPMRSK-UHFFFAOYSA-N
MW287.27 g/mol
LogP3.48
Rot. Bonds2

About 4,8-difluoro-3-(4-methoxyphenyl)-1H-quinolin-2-one

4,8-difluoro-3-(4-methoxyphenyl)-1H-quinolin-2-one (PubChem CID 11219911) has the molecular formula C16H11F2NO2 and a molecular weight of 287.27 g/mol. Its IUPAC name is 4,8-difluoro-3-(4-methoxyphenyl)-1H-quinolin-2-one.

Molecular Properties

Compound Name4,8-difluoro-3-(4-methoxyphenyl)-1H-quinolin-2-one
PubChem CID11219911
Molecular FormulaC16H11F2NO2
Molecular Weight287.27 g/mol
Exact Mass287.08
IUPAC Name4,8-difluoro-3-(4-methoxyphenyl)-1H-quinolin-2-one
SMILESCOc1ccc(-c2c(F)c3cccc(F)c3[nH]c2=O)cc1
InChIInChI=1S/C16H11F2NO2/c1-21-10-7-5-9(6-8-10)13-14(18)11-3-2-4-12(17)15(11)19-16(13)20/h2-8H,1H3,(H,19,20)
InChIKeyXFGPHAVXHPMRSK-UHFFFAOYSA-N
XLogP3.48
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.27
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,8-difluoro-3-(4-methoxyphenyl)-1H-quinolin-2-one?
The IUPAC name of 4,8-difluoro-3-(4-methoxyphenyl)-1H-quinolin-2-one (CID 11219911) is 4,8-difluoro-3-(4-methoxyphenyl)-1H-quinolin-2-one.
What is the SMILES notation for 4,8-difluoro-3-(4-methoxyphenyl)-1H-quinolin-2-one?
The canonical SMILES for 4,8-difluoro-3-(4-methoxyphenyl)-1H-quinolin-2-one is COc1ccc(-c2c(F)c3cccc(F)c3[nH]c2=O)cc1.
What is the InChIKey of 4,8-difluoro-3-(4-methoxyphenyl)-1H-quinolin-2-one?
The InChIKey is XFGPHAVXHPMRSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F2NO2/c1-21-10-7-5-9(6-8-10)13-14(18)11-3-2-4-12(17)15(11)19-16(13)20/h2-8H,1H3,(H,19,20).
What are the key properties of 4,8-difluoro-3-(4-methoxyphenyl)-1H-quinolin-2-one?
4,8-difluoro-3-(4-methoxyphenyl)-1H-quinolin-2-one has a molecular weight of 287.27 g/mol, XLogP of 3.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,8-difluoro-3-(4-methoxyphenyl)-1H-quinolin-2-one is sourced from PubChem (CID 11219911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).