8-bromo-5-fluoro-2-(methoxymethyl)-1H-quinolin-4-one

C11H9BrFNO2 — CID 107628076

IUPAC8-bromo-5-fluoro-2-(methoxymethyl)-1H-quinolin-4-one
SMILESCOCc1cc(=O)c2c(F)ccc(Br)c2[nH]1
InChIInChI=1S/C11H9BrFNO2/c1-16-5-6-4-9(15)10-8(13)3-2-7(12)11(10)14-6/h2-4H,5H2,1H3,(H,14,15)
InChIKeyGGHJEQNPFZUUHC-UHFFFAOYSA-N
MW286.10 g/mol
LogP2.58
Rot. Bonds2

About 8-bromo-5-fluoro-2-(methoxymethyl)-1H-quinolin-4-one

8-bromo-5-fluoro-2-(methoxymethyl)-1H-quinolin-4-one (PubChem CID 107628076) has the molecular formula C11H9BrFNO2 and a molecular weight of 286.10 g/mol. Its IUPAC name is 8-bromo-5-fluoro-2-(methoxymethyl)-1H-quinolin-4-one.

Molecular Properties

Compound Name8-bromo-5-fluoro-2-(methoxymethyl)-1H-quinolin-4-one
PubChem CID107628076
Molecular FormulaC11H9BrFNO2
Molecular Weight286.10 g/mol
Exact Mass284.98
IUPAC Name8-bromo-5-fluoro-2-(methoxymethyl)-1H-quinolin-4-one
SMILESCOCc1cc(=O)c2c(F)ccc(Br)c2[nH]1
InChIInChI=1S/C11H9BrFNO2/c1-16-5-6-4-9(15)10-8(13)3-2-7(12)11(10)14-6/h2-4H,5H2,1H3,(H,14,15)
InChIKeyGGHJEQNPFZUUHC-UHFFFAOYSA-N
XLogP2.58
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.10
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5,6,8-trifluoro-2-(methoxymethyl)-1H-quinolin-4-one
CID 62810940
8-bromo-2-(difluoromethyl)-5-fluoro-1H-quinolin-4-one
CID 107628086
8-chloro-6-fluoro-2-(methoxymethyl)-1H-quinolin-4-one
CID 62318813
8-bromo-5-fluoro-2,3-dimethyl-1H-quinolin-4-one
CID 107628096
7-fluoro-2-(methoxymethyl)-1H-quinolin-4-one
CID 103996038
5-bromo-2-ethyl-8-methyl-1H-quinolin-4-one
CID 43806738
5-fluoro-2-methyl-8-propoxy-1H-quinolin-4-one
CID 66917284
1-bromo-4-fluoro-2-methoxy-3-(methoxymethyl)benzene
CID 166159524
4-bromo-1-fluoro-5,6,7,8,9,10-hexahydrocyclohepta[b]quinolin-11-one
CID 107628071
6-bromo-2-ethyl-8-fluoro-1H-quinolin-4-one
CID 43668195
3-tert-butyl-6-(methoxymethyl)-1H-pyrimidine-2,4-dione
CID 122239218
8-bromo-6-chloro-3-(methoxymethyl)-1H-quinolin-2-one
CID 165134194

Frequently Asked Questions

What is the IUPAC name of 8-bromo-5-fluoro-2-(methoxymethyl)-1H-quinolin-4-one?
The IUPAC name of 8-bromo-5-fluoro-2-(methoxymethyl)-1H-quinolin-4-one (CID 107628076) is 8-bromo-5-fluoro-2-(methoxymethyl)-1H-quinolin-4-one.
What is the SMILES notation for 8-bromo-5-fluoro-2-(methoxymethyl)-1H-quinolin-4-one?
The canonical SMILES for 8-bromo-5-fluoro-2-(methoxymethyl)-1H-quinolin-4-one is COCc1cc(=O)c2c(F)ccc(Br)c2[nH]1.
What is the InChIKey of 8-bromo-5-fluoro-2-(methoxymethyl)-1H-quinolin-4-one?
The InChIKey is GGHJEQNPFZUUHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrFNO2/c1-16-5-6-4-9(15)10-8(13)3-2-7(12)11(10)14-6/h2-4H,5H2,1H3,(H,14,15).
What are the key properties of 8-bromo-5-fluoro-2-(methoxymethyl)-1H-quinolin-4-one?
8-bromo-5-fluoro-2-(methoxymethyl)-1H-quinolin-4-one has a molecular weight of 286.10 g/mol, XLogP of 2.58, 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-2-(methoxymethyl)-1H-quinolin-4-one is sourced from PubChem (CID 107628076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).