7-bromo-1-(2,4-difluorophenyl)-3-fluoroquinolin-4-one

C15H7BrF3NO — CID 135020470

IUPAC7-bromo-1-(2,4-difluorophenyl)-3-fluoroquinolin-4-one
SMILESO=c1c(F)cn(-c2ccc(F)cc2F)c2cc(Br)ccc12
InChIInChI=1S/C15H7BrF3NO/c16-8-1-3-10-14(5-8)20(7-12(19)15(10)21)13-4-2-9(17)6-11(13)18/h1-7H
InChIKeyQQDAMUMTMIDTEG-UHFFFAOYSA-N
MW354.13 g/mol
LogP4.17
Rot. Bonds1

About 7-bromo-1-(2,4-difluorophenyl)-3-fluoroquinolin-4-one

7-bromo-1-(2,4-difluorophenyl)-3-fluoroquinolin-4-one (PubChem CID 135020470) has the molecular formula C15H7BrF3NO and a molecular weight of 354.13 g/mol. Its IUPAC name is 7-bromo-1-(2,4-difluorophenyl)-3-fluoroquinolin-4-one.

Molecular Properties

Compound Name7-bromo-1-(2,4-difluorophenyl)-3-fluoroquinolin-4-one
PubChem CID135020470
Molecular FormulaC15H7BrF3NO
Molecular Weight354.13 g/mol
Exact Mass352.97
IUPAC Name7-bromo-1-(2,4-difluorophenyl)-3-fluoroquinolin-4-one
SMILESO=c1c(F)cn(-c2ccc(F)cc2F)c2cc(Br)ccc12
InChIInChI=1S/C15H7BrF3NO/c16-8-1-3-10-14(5-8)20(7-12(19)15(10)21)13-4-2-9(17)6-11(13)18/h1-7H
InChIKeyQQDAMUMTMIDTEG-UHFFFAOYSA-N
XLogP4.17
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.13
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-1-(2,4-difluorophenyl)-3-fluoroquinolin-4-one?
The IUPAC name of 7-bromo-1-(2,4-difluorophenyl)-3-fluoroquinolin-4-one (CID 135020470) is 7-bromo-1-(2,4-difluorophenyl)-3-fluoroquinolin-4-one.
What is the SMILES notation for 7-bromo-1-(2,4-difluorophenyl)-3-fluoroquinolin-4-one?
The canonical SMILES for 7-bromo-1-(2,4-difluorophenyl)-3-fluoroquinolin-4-one is O=c1c(F)cn(-c2ccc(F)cc2F)c2cc(Br)ccc12.
What is the InChIKey of 7-bromo-1-(2,4-difluorophenyl)-3-fluoroquinolin-4-one?
The InChIKey is QQDAMUMTMIDTEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H7BrF3NO/c16-8-1-3-10-14(5-8)20(7-12(19)15(10)21)13-4-2-9(17)6-11(13)18/h1-7H.
What are the key properties of 7-bromo-1-(2,4-difluorophenyl)-3-fluoroquinolin-4-one?
7-bromo-1-(2,4-difluorophenyl)-3-fluoroquinolin-4-one has a molecular weight of 354.13 g/mol, XLogP of 4.17, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-1-(2,4-difluorophenyl)-3-fluoroquinolin-4-one is sourced from PubChem (CID 135020470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).