5-bromo-8-methoxy-2-(trifluoromethyl)-1H-quinolin-4-one

C11H7BrF3NO2 — CID 54967410

IUPAC5-bromo-8-methoxy-2-(trifluoromethyl)-1H-quinolin-4-one
SMILESCOc1ccc(Br)c2c(=O)cc(C(F)(F)F)[nH]c12
InChIInChI=1S/C11H7BrF3NO2/c1-18-7-3-2-5(12)9-6(17)4-8(11(13,14)15)16-10(7)9/h2-4H,1H3,(H,16,17)
InChIKeyWXDCCHXDLNOODG-UHFFFAOYSA-N
MW322.08 g/mol
LogP3.32
Rot. Bonds1

About 5-bromo-8-methoxy-2-(trifluoromethyl)-1H-quinolin-4-one

5-bromo-8-methoxy-2-(trifluoromethyl)-1H-quinolin-4-one (PubChem CID 54967410) has the molecular formula C11H7BrF3NO2 and a molecular weight of 322.08 g/mol. Its IUPAC name is 5-bromo-8-methoxy-2-(trifluoromethyl)-1H-quinolin-4-one.

Molecular Properties

Compound Name5-bromo-8-methoxy-2-(trifluoromethyl)-1H-quinolin-4-one
PubChem CID54967410
Molecular FormulaC11H7BrF3NO2
Molecular Weight322.08 g/mol
Exact Mass320.96
IUPAC Name5-bromo-8-methoxy-2-(trifluoromethyl)-1H-quinolin-4-one
SMILESCOc1ccc(Br)c2c(=O)cc(C(F)(F)F)[nH]c12
InChIInChI=1S/C11H7BrF3NO2/c1-18-7-3-2-5(12)9-6(17)4-8(11(13,14)15)16-10(7)9/h2-4H,1H3,(H,16,17)
InChIKeyWXDCCHXDLNOODG-UHFFFAOYSA-N
XLogP3.32
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.08
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-8-methoxy-2-(trifluoromethyl)-1H-quinolin-4-one?
The IUPAC name of 5-bromo-8-methoxy-2-(trifluoromethyl)-1H-quinolin-4-one (CID 54967410) is 5-bromo-8-methoxy-2-(trifluoromethyl)-1H-quinolin-4-one.
What is the SMILES notation for 5-bromo-8-methoxy-2-(trifluoromethyl)-1H-quinolin-4-one?
The canonical SMILES for 5-bromo-8-methoxy-2-(trifluoromethyl)-1H-quinolin-4-one is COc1ccc(Br)c2c(=O)cc(C(F)(F)F)[nH]c12.
What is the InChIKey of 5-bromo-8-methoxy-2-(trifluoromethyl)-1H-quinolin-4-one?
The InChIKey is WXDCCHXDLNOODG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrF3NO2/c1-18-7-3-2-5(12)9-6(17)4-8(11(13,14)15)16-10(7)9/h2-4H,1H3,(H,16,17).
What are the key properties of 5-bromo-8-methoxy-2-(trifluoromethyl)-1H-quinolin-4-one?
5-bromo-8-methoxy-2-(trifluoromethyl)-1H-quinolin-4-one has a molecular weight of 322.08 g/mol, XLogP of 3.32, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-8-methoxy-2-(trifluoromethyl)-1H-quinolin-4-one is sourced from PubChem (CID 54967410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).