6-bromo-8-chloro-3-methyl-2-(trifluoromethyl)-1H-quinolin-4-one

C11H6BrClF3NO — CID 63743884

IUPAC6-bromo-8-chloro-3-methyl-2-(trifluoromethyl)-1H-quinolin-4-one
SMILESCc1c(C(F)(F)F)[nH]c2c(Cl)cc(Br)cc2c1=O
InChIInChI=1S/C11H6BrClF3NO/c1-4-9(18)6-2-5(12)3-7(13)8(6)17-10(4)11(14,15)16/h2-3H,1H3,(H,17,18)
InChIKeyCYPCOGSXYKAYRA-UHFFFAOYSA-N
MW340.53 g/mol
LogP4.27
Rot. Bonds

About 6-bromo-8-chloro-3-methyl-2-(trifluoromethyl)-1H-quinolin-4-one

6-bromo-8-chloro-3-methyl-2-(trifluoromethyl)-1H-quinolin-4-one (PubChem CID 63743884) has the molecular formula C11H6BrClF3NO and a molecular weight of 340.53 g/mol. Its IUPAC name is 6-bromo-8-chloro-3-methyl-2-(trifluoromethyl)-1H-quinolin-4-one.

Molecular Properties

Compound Name6-bromo-8-chloro-3-methyl-2-(trifluoromethyl)-1H-quinolin-4-one
PubChem CID63743884
Molecular FormulaC11H6BrClF3NO
Molecular Weight340.53 g/mol
Exact Mass338.93
IUPAC Name6-bromo-8-chloro-3-methyl-2-(trifluoromethyl)-1H-quinolin-4-one
SMILESCc1c(C(F)(F)F)[nH]c2c(Cl)cc(Br)cc2c1=O
InChIInChI=1S/C11H6BrClF3NO/c1-4-9(18)6-2-5(12)3-7(13)8(6)17-10(4)11(14,15)16/h2-3H,1H3,(H,17,18)
InChIKeyCYPCOGSXYKAYRA-UHFFFAOYSA-N
XLogP4.27
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.53
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

6-bromo-8-ethyl-3-methyl-2-(trifluoromethyl)-1H-quinolin-4-one
CID 81287786
6-chloro-7-methoxy-3-methyl-2-(trifluoromethyl)-1H-quinolin-4-one
CID 107622842
6-bromo-8-chloro-3-methyl-2-sulfanylidene-1H-quinazolin-4-one
CID 114589056
6-bromo-8-methyl-4-(trifluoromethyl)-1H-quinolin-2-one
CID 131847437
6-bromo-8-chloro-4-oxo-1H-quinoline-3-carboxylic acid
CID 43532027
6-bromo-8-chloro-4-oxo-1H-quinoline-3-carbonitrile
CID 24707150
ethyl 6-bromo-8-chloro-4-oxo-1H-quinoline-3-carboxylate
CID 2797073
3,5,7-trimethyl-2-(trifluoromethyl)-1H-quinolin-4-one
CID 63742357
3,6,8-trichloro-2-methyl-1H-quinolin-4-one
CID 121236859
1,8-dichloro-3,6-dimethyl-9H-carbazole
CID 156769034
methyl 7-chloro-2-(trifluoromethyl)-1H-indole-3-carboxylate
CID 141445406
8-chloro-6-(trifluoromethyl)-1H-quinazoline-2,4-dione
CID 156808240

Frequently Asked Questions

What is the IUPAC name of 6-bromo-8-chloro-3-methyl-2-(trifluoromethyl)-1H-quinolin-4-one?
The IUPAC name of 6-bromo-8-chloro-3-methyl-2-(trifluoromethyl)-1H-quinolin-4-one (CID 63743884) is 6-bromo-8-chloro-3-methyl-2-(trifluoromethyl)-1H-quinolin-4-one.
What is the SMILES notation for 6-bromo-8-chloro-3-methyl-2-(trifluoromethyl)-1H-quinolin-4-one?
The canonical SMILES for 6-bromo-8-chloro-3-methyl-2-(trifluoromethyl)-1H-quinolin-4-one is Cc1c(C(F)(F)F)[nH]c2c(Cl)cc(Br)cc2c1=O.
What is the InChIKey of 6-bromo-8-chloro-3-methyl-2-(trifluoromethyl)-1H-quinolin-4-one?
The InChIKey is CYPCOGSXYKAYRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6BrClF3NO/c1-4-9(18)6-2-5(12)3-7(13)8(6)17-10(4)11(14,15)16/h2-3H,1H3,(H,17,18).
What are the key properties of 6-bromo-8-chloro-3-methyl-2-(trifluoromethyl)-1H-quinolin-4-one?
6-bromo-8-chloro-3-methyl-2-(trifluoromethyl)-1H-quinolin-4-one has a molecular weight of 340.53 g/mol, XLogP of 4.27, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-8-chloro-3-methyl-2-(trifluoromethyl)-1H-quinolin-4-one is sourced from PubChem (CID 63743884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).