5-bromo-6-fluoro-8-methyl-2-propan-2-yl-1H-quinolin-4-one

C13H13BrFNO — CID 107593527

IUPAC5-bromo-6-fluoro-8-methyl-2-propan-2-yl-1H-quinolin-4-one
SMILESCc1cc(F)c(Br)c2c(=O)cc(C(C)C)[nH]c12
InChIInChI=1S/C13H13BrFNO/c1-6(2)9-5-10(17)11-12(14)8(15)4-7(3)13(11)16-9/h4-6H,1-3H3,(H,16,17)
InChIKeySEHKCRXVXUVTSL-UHFFFAOYSA-N
MW298.16 g/mol
LogP3.86
Rot. Bonds1

About 5-bromo-6-fluoro-8-methyl-2-propan-2-yl-1H-quinolin-4-one

5-bromo-6-fluoro-8-methyl-2-propan-2-yl-1H-quinolin-4-one (PubChem CID 107593527) has the molecular formula C13H13BrFNO and a molecular weight of 298.16 g/mol. Its IUPAC name is 5-bromo-6-fluoro-8-methyl-2-propan-2-yl-1H-quinolin-4-one.

Molecular Properties

Compound Name5-bromo-6-fluoro-8-methyl-2-propan-2-yl-1H-quinolin-4-one
PubChem CID107593527
Molecular FormulaC13H13BrFNO
Molecular Weight298.16 g/mol
Exact Mass297.02
IUPAC Name5-bromo-6-fluoro-8-methyl-2-propan-2-yl-1H-quinolin-4-one
SMILESCc1cc(F)c(Br)c2c(=O)cc(C(C)C)[nH]c12
InChIInChI=1S/C13H13BrFNO/c1-6(2)9-5-10(17)11-12(14)8(15)4-7(3)13(11)16-9/h4-6H,1-3H3,(H,16,17)
InChIKeySEHKCRXVXUVTSL-UHFFFAOYSA-N
XLogP3.86
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.16
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-fluoro-8-methyl-2-propan-2-yl-1H-quinolin-4-one?
The IUPAC name of 5-bromo-6-fluoro-8-methyl-2-propan-2-yl-1H-quinolin-4-one (CID 107593527) is 5-bromo-6-fluoro-8-methyl-2-propan-2-yl-1H-quinolin-4-one.
What is the SMILES notation for 5-bromo-6-fluoro-8-methyl-2-propan-2-yl-1H-quinolin-4-one?
The canonical SMILES for 5-bromo-6-fluoro-8-methyl-2-propan-2-yl-1H-quinolin-4-one is Cc1cc(F)c(Br)c2c(=O)cc(C(C)C)[nH]c12.
What is the InChIKey of 5-bromo-6-fluoro-8-methyl-2-propan-2-yl-1H-quinolin-4-one?
The InChIKey is SEHKCRXVXUVTSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrFNO/c1-6(2)9-5-10(17)11-12(14)8(15)4-7(3)13(11)16-9/h4-6H,1-3H3,(H,16,17).
What are the key properties of 5-bromo-6-fluoro-8-methyl-2-propan-2-yl-1H-quinolin-4-one?
5-bromo-6-fluoro-8-methyl-2-propan-2-yl-1H-quinolin-4-one has a molecular weight of 298.16 g/mol, XLogP of 3.86, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-fluoro-8-methyl-2-propan-2-yl-1H-quinolin-4-one is sourced from PubChem (CID 107593527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).