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

C11H7BrF3NO — CID 131847437

IUPAC6-bromo-8-methyl-4-(trifluoromethyl)-1H-quinolin-2-one
SMILESCc1cc(Br)cc2c(C(F)(F)F)cc(=O)[nH]c12
InChIInChI=1S/C11H7BrF3NO/c1-5-2-6(12)3-7-8(11(13,14)15)4-9(17)16-10(5)7/h2-4H,1H3,(H,16,17)
InChIKeyQWMITHZXPDYPGB-UHFFFAOYSA-N
MW306.08 g/mol
LogP3.62
Rot. Bonds

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

6-bromo-8-methyl-4-(trifluoromethyl)-1H-quinolin-2-one (PubChem CID 131847437) has the molecular formula C11H7BrF3NO and a molecular weight of 306.08 g/mol. Its IUPAC name is 6-bromo-8-methyl-4-(trifluoromethyl)-1H-quinolin-2-one.

Molecular Properties

Compound Name6-bromo-8-methyl-4-(trifluoromethyl)-1H-quinolin-2-one
PubChem CID131847437
Molecular FormulaC11H7BrF3NO
Molecular Weight306.08 g/mol
Exact Mass304.97
IUPAC Name6-bromo-8-methyl-4-(trifluoromethyl)-1H-quinolin-2-one
SMILESCc1cc(Br)cc2c(C(F)(F)F)cc(=O)[nH]c12
InChIInChI=1S/C11H7BrF3NO/c1-5-2-6(12)3-7-8(11(13,14)15)4-9(17)16-10(5)7/h2-4H,1H3,(H,16,17)
InChIKeyQWMITHZXPDYPGB-UHFFFAOYSA-N
XLogP3.62
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.08
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 6-bromo-8-methyl-4-(trifluoromethyl)-1H-quinolin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6,8-dimethoxy-4-(trifluoromethyl)-1H-quinolin-2-one
CID 2794452
6-bromo-8-methyl-1H-3,1-benzoxazine-2,4-dione
CID 22493297
6-bromo-8-methyl-2-sulfanylidene-1H-quinazolin-4-one
CID 114589018
5-bromo-7-methyl-1,2-dihydroindazol-3-one
CID 83397847
4-(trifluoromethyl)-7H-thieno[2,3-b]pyridin-6-one
CID 168966863
6-bromo-8-methyl-2,3,4,9-tetrahydrocarbazol-1-one
CID 104508949
3-methyl-4-(trifluoromethyl)-7H-[1,2]oxazolo[5,4-b]pyridin-6-one
CID 135431965
7-bromo-6-(propan-2-ylamino)-4-(trifluoromethyl)-1H-quinolin-2-one
CID 22279024
5-bromo-2-ethyl-3,7-dimethyl-1H-indole
CID 84707640
6-bromo-8-chloro-3-methyl-2-(trifluoromethyl)-1H-quinolin-4-one
CID 63743884
6-amino-4-(trifluoromethyl)-1H-quinolin-2-one;ethane
CID 142046924
8-bromo-5-(trifluoromethyl)-1H-quinolin-2-one
CID 169499706

Frequently Asked Questions

What is the IUPAC name of 6-bromo-8-methyl-4-(trifluoromethyl)-1H-quinolin-2-one?
The IUPAC name of 6-bromo-8-methyl-4-(trifluoromethyl)-1H-quinolin-2-one (CID 131847437) is 6-bromo-8-methyl-4-(trifluoromethyl)-1H-quinolin-2-one.
What is the SMILES notation for 6-bromo-8-methyl-4-(trifluoromethyl)-1H-quinolin-2-one?
The canonical SMILES for 6-bromo-8-methyl-4-(trifluoromethyl)-1H-quinolin-2-one is Cc1cc(Br)cc2c(C(F)(F)F)cc(=O)[nH]c12.
What is the InChIKey of 6-bromo-8-methyl-4-(trifluoromethyl)-1H-quinolin-2-one?
The InChIKey is QWMITHZXPDYPGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrF3NO/c1-5-2-6(12)3-7-8(11(13,14)15)4-9(17)16-10(5)7/h2-4H,1H3,(H,16,17).
What are the key properties of 6-bromo-8-methyl-4-(trifluoromethyl)-1H-quinolin-2-one?
6-bromo-8-methyl-4-(trifluoromethyl)-1H-quinolin-2-one has a molecular weight of 306.08 g/mol, XLogP of 3.62, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-8-methyl-4-(trifluoromethyl)-1H-quinolin-2-one is sourced from PubChem (CID 131847437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).