7-bromo-1-methyl-4-(trifluoromethyl)quinolin-2-one

C11H7BrF3NO — CID 170588235

IUPAC7-bromo-1-methyl-4-(trifluoromethyl)quinolin-2-one
SMILESCn1c(=O)cc(C(F)(F)F)c2ccc(Br)cc21
InChIInChI=1S/C11H7BrF3NO/c1-16-9-4-6(12)2-3-7(9)8(5-10(16)17)11(13,14)15/h2-5H,1H3
InChIKeyCPXMGNAMPQIZNZ-UHFFFAOYSA-N
MW306.08 g/mol
LogP3.32
Rot. Bonds

About 7-bromo-1-methyl-4-(trifluoromethyl)quinolin-2-one

7-bromo-1-methyl-4-(trifluoromethyl)quinolin-2-one (PubChem CID 170588235) has the molecular formula C11H7BrF3NO and a molecular weight of 306.08 g/mol. Its IUPAC name is 7-bromo-1-methyl-4-(trifluoromethyl)quinolin-2-one.

Molecular Properties

Compound Name7-bromo-1-methyl-4-(trifluoromethyl)quinolin-2-one
PubChem CID170588235
Molecular FormulaC11H7BrF3NO
Molecular Weight306.08 g/mol
Exact Mass304.97
IUPAC Name7-bromo-1-methyl-4-(trifluoromethyl)quinolin-2-one
SMILESCn1c(=O)cc(C(F)(F)F)c2ccc(Br)cc21
InChIInChI=1S/C11H7BrF3NO/c1-16-9-4-6(12)2-3-7(9)8(5-10(16)17)11(13,14)15/h2-5H,1H3
InChIKeyCPXMGNAMPQIZNZ-UHFFFAOYSA-N
XLogP3.32
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.08
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-1-methyl-4-(trifluoromethyl)quinolin-2-one?
The IUPAC name of 7-bromo-1-methyl-4-(trifluoromethyl)quinolin-2-one (CID 170588235) is 7-bromo-1-methyl-4-(trifluoromethyl)quinolin-2-one.
What is the SMILES notation for 7-bromo-1-methyl-4-(trifluoromethyl)quinolin-2-one?
The canonical SMILES for 7-bromo-1-methyl-4-(trifluoromethyl)quinolin-2-one is Cn1c(=O)cc(C(F)(F)F)c2ccc(Br)cc21.
What is the InChIKey of 7-bromo-1-methyl-4-(trifluoromethyl)quinolin-2-one?
The InChIKey is CPXMGNAMPQIZNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrF3NO/c1-16-9-4-6(12)2-3-7(9)8(5-10(16)17)11(13,14)15/h2-5H,1H3.
What are the key properties of 7-bromo-1-methyl-4-(trifluoromethyl)quinolin-2-one?
7-bromo-1-methyl-4-(trifluoromethyl)quinolin-2-one has a molecular weight of 306.08 g/mol, XLogP of 3.32, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-1-methyl-4-(trifluoromethyl)quinolin-2-one is sourced from PubChem (CID 170588235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).