7-bromo-1-(2,4-difluorophenyl)-2-methylquinolin-4-one

C16H10BrF2NO — CID 57326060

IUPAC7-bromo-1-(2,4-difluorophenyl)-2-methylquinolin-4-one
SMILESCc1cc(=O)c2ccc(Br)cc2n1-c1ccc(F)cc1F
InChIInChI=1S/C16H10BrF2NO/c1-9-6-16(21)12-4-2-10(17)7-15(12)20(9)14-5-3-11(18)8-13(14)19/h2-8H,1H3
InChIKeyUKGFMLYMEDHGAS-UHFFFAOYSA-N
MW350.16 g/mol
LogP4.34
Rot. Bonds1

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

7-bromo-1-(2,4-difluorophenyl)-2-methylquinolin-4-one (PubChem CID 57326060) has the molecular formula C16H10BrF2NO and a molecular weight of 350.16 g/mol. Its IUPAC name is 7-bromo-1-(2,4-difluorophenyl)-2-methylquinolin-4-one.

Molecular Properties

Compound Name7-bromo-1-(2,4-difluorophenyl)-2-methylquinolin-4-one
PubChem CID57326060
Molecular FormulaC16H10BrF2NO
Molecular Weight350.16 g/mol
Exact Mass348.99
IUPAC Name7-bromo-1-(2,4-difluorophenyl)-2-methylquinolin-4-one
SMILESCc1cc(=O)c2ccc(Br)cc2n1-c1ccc(F)cc1F
InChIInChI=1S/C16H10BrF2NO/c1-9-6-16(21)12-4-2-10(17)7-15(12)20(9)14-5-3-11(18)8-13(14)19/h2-8H,1H3
InChIKeyUKGFMLYMEDHGAS-UHFFFAOYSA-N
XLogP4.34
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.16
LogP ≤ 54.34
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)-2-methylquinolin-4-one?
The IUPAC name of 7-bromo-1-(2,4-difluorophenyl)-2-methylquinolin-4-one (CID 57326060) is 7-bromo-1-(2,4-difluorophenyl)-2-methylquinolin-4-one.
What is the SMILES notation for 7-bromo-1-(2,4-difluorophenyl)-2-methylquinolin-4-one?
The canonical SMILES for 7-bromo-1-(2,4-difluorophenyl)-2-methylquinolin-4-one is Cc1cc(=O)c2ccc(Br)cc2n1-c1ccc(F)cc1F.
What is the InChIKey of 7-bromo-1-(2,4-difluorophenyl)-2-methylquinolin-4-one?
The InChIKey is UKGFMLYMEDHGAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10BrF2NO/c1-9-6-16(21)12-4-2-10(17)7-15(12)20(9)14-5-3-11(18)8-13(14)19/h2-8H,1H3.
What are the key properties of 7-bromo-1-(2,4-difluorophenyl)-2-methylquinolin-4-one?
7-bromo-1-(2,4-difluorophenyl)-2-methylquinolin-4-one has a molecular weight of 350.16 g/mol, XLogP of 4.34, 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)-2-methylquinolin-4-one is sourced from PubChem (CID 57326060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).