7-(bromomethyl)-3-ethyl-8-fluoro-1H-quinolin-2-one

C12H11BrFNO — CID 168984402

IUPAC7-(bromomethyl)-3-ethyl-8-fluoro-1H-quinolin-2-one
SMILESCCc1cc2ccc(CBr)c(F)c2[nH]c1=O
InChIInChI=1S/C12H11BrFNO/c1-2-7-5-8-3-4-9(6-13)10(14)11(8)15-12(7)16/h3-5H,2,6H2,1H3,(H,15,16)
InChIKeyVSWLLCISCHXIKY-UHFFFAOYSA-N
MW284.13 g/mol
LogP3.12
Rot. Bonds2

About 7-(bromomethyl)-3-ethyl-8-fluoro-1H-quinolin-2-one

7-(bromomethyl)-3-ethyl-8-fluoro-1H-quinolin-2-one (PubChem CID 168984402) has the molecular formula C12H11BrFNO and a molecular weight of 284.13 g/mol. Its IUPAC name is 7-(bromomethyl)-3-ethyl-8-fluoro-1H-quinolin-2-one.

Molecular Properties

Compound Name7-(bromomethyl)-3-ethyl-8-fluoro-1H-quinolin-2-one
PubChem CID168984402
Molecular FormulaC12H11BrFNO
Molecular Weight284.13 g/mol
Exact Mass283.00
IUPAC Name7-(bromomethyl)-3-ethyl-8-fluoro-1H-quinolin-2-one
SMILESCCc1cc2ccc(CBr)c(F)c2[nH]c1=O
InChIInChI=1S/C12H11BrFNO/c1-2-7-5-8-3-4-9(6-13)10(14)11(8)15-12(7)16/h3-5H,2,6H2,1H3,(H,15,16)
InChIKeyVSWLLCISCHXIKY-UHFFFAOYSA-N
XLogP3.12
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.13
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

7-(bromomethyl)-3-ethyl-8-fluoro-1H-quinoxalin-2-one
CID 162524420
7-(chloromethyl)-8-fluoro-3-methyl-1H-quinolin-2-one
CID 168856762
3-ethyl-8-methyl-1H-quinolin-2-one
CID 143939354
3-(bromomethyl)-7-ethyl-1,5-dihydro-1,5-naphthyridine-2,6-dione
CID 166082549
5,8-diethyl-1,4-dihydroquinoxaline-2,3-dione
CID 118870848
6-chloro-N-(3,3-difluoroazetidin-1-yl)-5-[4-[(3-ethyl-8-fluoro-2-oxo-1H-quinolin-7-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide
CID 178131756
3-cyclopropyl-8-fluoro-7-(hydroxymethyl)-1H-quinolin-2-one
CID 169110538
3-ethyl-5-fluoro-6-iodo-1H-pyridin-2-one
CID 170115895
7-(bromomethyl)-8-fluoro-3-methyl-1H-1,5-naphthyridin-2-one
CID 178132037
8-ethyl-3-(3-oxobutyl)-1H-quinolin-2-one
CID 84630854
3-(2-aminopropyl)-8-fluoro-1H-quinolin-2-one
CID 84623506
3-butyl-8-hydroxy-1H-quinolin-2-one
CID 160626954

Frequently Asked Questions

What is the IUPAC name of 7-(bromomethyl)-3-ethyl-8-fluoro-1H-quinolin-2-one?
The IUPAC name of 7-(bromomethyl)-3-ethyl-8-fluoro-1H-quinolin-2-one (CID 168984402) is 7-(bromomethyl)-3-ethyl-8-fluoro-1H-quinolin-2-one.
What is the SMILES notation for 7-(bromomethyl)-3-ethyl-8-fluoro-1H-quinolin-2-one?
The canonical SMILES for 7-(bromomethyl)-3-ethyl-8-fluoro-1H-quinolin-2-one is CCc1cc2ccc(CBr)c(F)c2[nH]c1=O.
What is the InChIKey of 7-(bromomethyl)-3-ethyl-8-fluoro-1H-quinolin-2-one?
The InChIKey is VSWLLCISCHXIKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrFNO/c1-2-7-5-8-3-4-9(6-13)10(14)11(8)15-12(7)16/h3-5H,2,6H2,1H3,(H,15,16).
What are the key properties of 7-(bromomethyl)-3-ethyl-8-fluoro-1H-quinolin-2-one?
7-(bromomethyl)-3-ethyl-8-fluoro-1H-quinolin-2-one has a molecular weight of 284.13 g/mol, XLogP of 3.12, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(bromomethyl)-3-ethyl-8-fluoro-1H-quinolin-2-one is sourced from PubChem (CID 168984402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).