8-bromo-6-tert-butyl-1H-quinolin-2-one

C13H14BrNO — CID 59476191

IUPAC8-bromo-6-tert-butyl-1H-quinolin-2-one
SMILESCC(C)(C)c1cc(Br)c2[nH]c(=O)ccc2c1
InChIInChI=1S/C13H14BrNO/c1-13(2,3)9-6-8-4-5-11(16)15-12(8)10(14)7-9/h4-7H,1-3H3,(H,15,16)
InChIKeyKUOIBTALIANLQY-UHFFFAOYSA-N
MW280.17 g/mol
LogP3.59
Rot. Bonds

About 8-bromo-6-tert-butyl-1H-quinolin-2-one

8-bromo-6-tert-butyl-1H-quinolin-2-one (PubChem CID 59476191) has the molecular formula C13H14BrNO and a molecular weight of 280.17 g/mol. Its IUPAC name is 8-bromo-6-tert-butyl-1H-quinolin-2-one.

Molecular Properties

Compound Name8-bromo-6-tert-butyl-1H-quinolin-2-one
PubChem CID59476191
Molecular FormulaC13H14BrNO
Molecular Weight280.17 g/mol
Exact Mass279.03
IUPAC Name8-bromo-6-tert-butyl-1H-quinolin-2-one
SMILESCC(C)(C)c1cc(Br)c2[nH]c(=O)ccc2c1
InChIInChI=1S/C13H14BrNO/c1-13(2,3)9-6-8-4-5-11(16)15-12(8)10(14)7-9/h4-7H,1-3H3,(H,15,16)
InChIKeyKUOIBTALIANLQY-UHFFFAOYSA-N
XLogP3.59
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.17
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-6-tert-butyl-1H-quinolin-2-one?
The IUPAC name of 8-bromo-6-tert-butyl-1H-quinolin-2-one (CID 59476191) is 8-bromo-6-tert-butyl-1H-quinolin-2-one.
What is the SMILES notation for 8-bromo-6-tert-butyl-1H-quinolin-2-one?
The canonical SMILES for 8-bromo-6-tert-butyl-1H-quinolin-2-one is CC(C)(C)c1cc(Br)c2[nH]c(=O)ccc2c1.
What is the InChIKey of 8-bromo-6-tert-butyl-1H-quinolin-2-one?
The InChIKey is KUOIBTALIANLQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrNO/c1-13(2,3)9-6-8-4-5-11(16)15-12(8)10(14)7-9/h4-7H,1-3H3,(H,15,16).
What are the key properties of 8-bromo-6-tert-butyl-1H-quinolin-2-one?
8-bromo-6-tert-butyl-1H-quinolin-2-one has a molecular weight of 280.17 g/mol, XLogP of 3.59, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-6-tert-butyl-1H-quinolin-2-one is sourced from PubChem (CID 59476191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).