8-bromo-5-fluoro-3-(4-methoxyphenyl)-1H-quinolin-4-one

C16H11BrFNO2 — CID 66917247

IUPAC8-bromo-5-fluoro-3-(4-methoxyphenyl)-1H-quinolin-4-one
SMILESCOc1ccc(-c2c[nH]c3c(Br)ccc(F)c3c2=O)cc1
InChIInChI=1S/C16H11BrFNO2/c1-21-10-4-2-9(3-5-10)11-8-19-15-12(17)6-7-13(18)14(15)16(11)20/h2-8H,1H3,(H,19,20)
InChIKeyOPUVDWGAIVQSKR-UHFFFAOYSA-N
MW348.17 g/mol
LogP4.11
Rot. Bonds2

About 8-bromo-5-fluoro-3-(4-methoxyphenyl)-1H-quinolin-4-one

8-bromo-5-fluoro-3-(4-methoxyphenyl)-1H-quinolin-4-one (PubChem CID 66917247) has the molecular formula C16H11BrFNO2 and a molecular weight of 348.17 g/mol. Its IUPAC name is 8-bromo-5-fluoro-3-(4-methoxyphenyl)-1H-quinolin-4-one.

Molecular Properties

Compound Name8-bromo-5-fluoro-3-(4-methoxyphenyl)-1H-quinolin-4-one
PubChem CID66917247
Molecular FormulaC16H11BrFNO2
Molecular Weight348.17 g/mol
Exact Mass347.00
IUPAC Name8-bromo-5-fluoro-3-(4-methoxyphenyl)-1H-quinolin-4-one
SMILESCOc1ccc(-c2c[nH]c3c(Br)ccc(F)c3c2=O)cc1
InChIInChI=1S/C16H11BrFNO2/c1-21-10-4-2-9(3-5-10)11-8-19-15-12(17)6-7-13(18)14(15)16(11)20/h2-8H,1H3,(H,19,20)
InChIKeyOPUVDWGAIVQSKR-UHFFFAOYSA-N
XLogP4.11
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.17
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-5-fluoro-3-(4-methoxyphenyl)-1H-quinolin-4-one?
The IUPAC name of 8-bromo-5-fluoro-3-(4-methoxyphenyl)-1H-quinolin-4-one (CID 66917247) is 8-bromo-5-fluoro-3-(4-methoxyphenyl)-1H-quinolin-4-one.
What is the SMILES notation for 8-bromo-5-fluoro-3-(4-methoxyphenyl)-1H-quinolin-4-one?
The canonical SMILES for 8-bromo-5-fluoro-3-(4-methoxyphenyl)-1H-quinolin-4-one is COc1ccc(-c2c[nH]c3c(Br)ccc(F)c3c2=O)cc1.
What is the InChIKey of 8-bromo-5-fluoro-3-(4-methoxyphenyl)-1H-quinolin-4-one?
The InChIKey is OPUVDWGAIVQSKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrFNO2/c1-21-10-4-2-9(3-5-10)11-8-19-15-12(17)6-7-13(18)14(15)16(11)20/h2-8H,1H3,(H,19,20).
What are the key properties of 8-bromo-5-fluoro-3-(4-methoxyphenyl)-1H-quinolin-4-one?
8-bromo-5-fluoro-3-(4-methoxyphenyl)-1H-quinolin-4-one has a molecular weight of 348.17 g/mol, XLogP of 4.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-5-fluoro-3-(4-methoxyphenyl)-1H-quinolin-4-one is sourced from PubChem (CID 66917247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).