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

C13H11BrF3NO — CID 81287786

IUPAC6-bromo-8-ethyl-3-methyl-2-(trifluoromethyl)-1H-quinolin-4-one
SMILESCCc1cc(Br)cc2c(=O)c(C)c(C(F)(F)F)[nH]c12
InChIInChI=1S/C13H11BrF3NO/c1-3-7-4-8(14)5-9-10(7)18-12(13(15,16)17)6(2)11(9)19/h4-5H,3H2,1-2H3,(H,18,19)
InChIKeyUNABEVDTJATGDC-UHFFFAOYSA-N
MW334.14 g/mol
LogP4.18
Rot. Bonds1

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

6-bromo-8-ethyl-3-methyl-2-(trifluoromethyl)-1H-quinolin-4-one (PubChem CID 81287786) has the molecular formula C13H11BrF3NO and a molecular weight of 334.14 g/mol. Its IUPAC name is 6-bromo-8-ethyl-3-methyl-2-(trifluoromethyl)-1H-quinolin-4-one.

Molecular Properties

Compound Name6-bromo-8-ethyl-3-methyl-2-(trifluoromethyl)-1H-quinolin-4-one
PubChem CID81287786
Molecular FormulaC13H11BrF3NO
Molecular Weight334.14 g/mol
Exact Mass333.00
IUPAC Name6-bromo-8-ethyl-3-methyl-2-(trifluoromethyl)-1H-quinolin-4-one
SMILESCCc1cc(Br)cc2c(=O)c(C)c(C(F)(F)F)[nH]c12
InChIInChI=1S/C13H11BrF3NO/c1-3-7-4-8(14)5-9-10(7)18-12(13(15,16)17)6(2)11(9)19/h4-5H,3H2,1-2H3,(H,18,19)
InChIKeyUNABEVDTJATGDC-UHFFFAOYSA-N
XLogP4.18
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.14
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,8-Bis(trifluoromethyl)quinolin-4-ol
CID 736140
8-Methyl-2-(trifluoromethyl)-4-quinolinol
CID 2775089
6-Methyl-2-(trifluoromethyl)-4-quinolinol
CID 2775088
8-Bromo-2-methyl-4-quinolinol
CID 843748
3-Bromo-2-methylquinolin-4-OL
CID 886844
6-Bromo-2-methylquinolin-4-ol
CID 2905902
6-bromo-3-pentanoyl-1H-quinolin-4-one
CID 44560520
Quinolin-4-ol, 3-allyl-5-bromo-2-methyl-
CID 621787
7-Bromo-1,3,4,10-tetrahydro-2H-acridin-9-one
CID 655308
6-Bromo-2-methyl-3-propylquinolin-4-ol
CID 826108
3-bromo-2,6-dimethylquinolin-4(1H)-one
CID 892686
6-Bromo-3-isobutyl-2-methylquinolin-4-ol
CID 907073

Frequently Asked Questions

What is the IUPAC name of 6-bromo-8-ethyl-3-methyl-2-(trifluoromethyl)-1H-quinolin-4-one?
The IUPAC name of 6-bromo-8-ethyl-3-methyl-2-(trifluoromethyl)-1H-quinolin-4-one (CID 81287786) is 6-bromo-8-ethyl-3-methyl-2-(trifluoromethyl)-1H-quinolin-4-one.
What is the SMILES notation for 6-bromo-8-ethyl-3-methyl-2-(trifluoromethyl)-1H-quinolin-4-one?
The canonical SMILES for 6-bromo-8-ethyl-3-methyl-2-(trifluoromethyl)-1H-quinolin-4-one is CCc1cc(Br)cc2c(=O)c(C)c(C(F)(F)F)[nH]c12.
What is the InChIKey of 6-bromo-8-ethyl-3-methyl-2-(trifluoromethyl)-1H-quinolin-4-one?
The InChIKey is UNABEVDTJATGDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrF3NO/c1-3-7-4-8(14)5-9-10(7)18-12(13(15,16)17)6(2)11(9)19/h4-5H,3H2,1-2H3,(H,18,19).
What are the key properties of 6-bromo-8-ethyl-3-methyl-2-(trifluoromethyl)-1H-quinolin-4-one?
6-bromo-8-ethyl-3-methyl-2-(trifluoromethyl)-1H-quinolin-4-one has a molecular weight of 334.14 g/mol, XLogP of 4.18, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-8-ethyl-3-methyl-2-(trifluoromethyl)-1H-quinolin-4-one is sourced from PubChem (CID 81287786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).