7-bromo-2-ethyl-6,8-difluoro-1-(2-fluoroethyl)quinolin-4-one

C13H11BrF3NO — CID 57169664

IUPAC7-bromo-2-ethyl-6,8-difluoro-1-(2-fluoroethyl)quinolin-4-one
SMILESCCc1cc(=O)c2cc(F)c(Br)c(F)c2n1CCF
InChIInChI=1S/C13H11BrF3NO/c1-2-7-5-10(19)8-6-9(16)11(14)12(17)13(8)18(7)4-3-15/h5-6H,2-4H2,1H3
InChIKeyQCLSWROVIZLOSY-UHFFFAOYSA-N
MW334.14 g/mol
LogP3.57
Rot. Bonds3

About 7-bromo-2-ethyl-6,8-difluoro-1-(2-fluoroethyl)quinolin-4-one

7-bromo-2-ethyl-6,8-difluoro-1-(2-fluoroethyl)quinolin-4-one (PubChem CID 57169664) has the molecular formula C13H11BrF3NO and a molecular weight of 334.14 g/mol. Its IUPAC name is 7-bromo-2-ethyl-6,8-difluoro-1-(2-fluoroethyl)quinolin-4-one.

Molecular Properties

Compound Name7-bromo-2-ethyl-6,8-difluoro-1-(2-fluoroethyl)quinolin-4-one
PubChem CID57169664
Molecular FormulaC13H11BrF3NO
Molecular Weight334.14 g/mol
Exact Mass333.00
IUPAC Name7-bromo-2-ethyl-6,8-difluoro-1-(2-fluoroethyl)quinolin-4-one
SMILESCCc1cc(=O)c2cc(F)c(Br)c(F)c2n1CCF
InChIInChI=1S/C13H11BrF3NO/c1-2-7-5-10(19)8-6-9(16)11(14)12(17)13(8)18(7)4-3-15/h5-6H,2-4H2,1H3
InChIKeyQCLSWROVIZLOSY-UHFFFAOYSA-N
XLogP3.57
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.14
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-ethyl-6,8-difluoro-1-(2-fluoroethyl)quinolin-4-one?
The IUPAC name of 7-bromo-2-ethyl-6,8-difluoro-1-(2-fluoroethyl)quinolin-4-one (CID 57169664) is 7-bromo-2-ethyl-6,8-difluoro-1-(2-fluoroethyl)quinolin-4-one.
What is the SMILES notation for 7-bromo-2-ethyl-6,8-difluoro-1-(2-fluoroethyl)quinolin-4-one?
The canonical SMILES for 7-bromo-2-ethyl-6,8-difluoro-1-(2-fluoroethyl)quinolin-4-one is CCc1cc(=O)c2cc(F)c(Br)c(F)c2n1CCF.
What is the InChIKey of 7-bromo-2-ethyl-6,8-difluoro-1-(2-fluoroethyl)quinolin-4-one?
The InChIKey is QCLSWROVIZLOSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrF3NO/c1-2-7-5-10(19)8-6-9(16)11(14)12(17)13(8)18(7)4-3-15/h5-6H,2-4H2,1H3.
What are the key properties of 7-bromo-2-ethyl-6,8-difluoro-1-(2-fluoroethyl)quinolin-4-one?
7-bromo-2-ethyl-6,8-difluoro-1-(2-fluoroethyl)quinolin-4-one has a molecular weight of 334.14 g/mol, XLogP of 3.57, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-ethyl-6,8-difluoro-1-(2-fluoroethyl)quinolin-4-one is sourced from PubChem (CID 57169664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).