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

C11H7ClF3NO — CID 171373017

IUPAC8-chloro-3-methyl-6-(trifluoromethyl)-3H-quinolin-4-one
SMILESCC1C=Nc2c(Cl)cc(C(F)(F)F)cc2C1=O
InChIInChI=1S/C11H7ClF3NO/c1-5-4-16-9-7(10(5)17)2-6(3-8(9)12)11(13,14)15/h2-5H,1H3
InChIKeyGDLYUPUQLJETQN-UHFFFAOYSA-N
MW261.63 g/mol
LogP3.89
Rot. Bonds

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

8-chloro-3-methyl-6-(trifluoromethyl)-3H-quinolin-4-one (PubChem CID 171373017) has the molecular formula C11H7ClF3NO and a molecular weight of 261.63 g/mol. Its IUPAC name is 8-chloro-3-methyl-6-(trifluoromethyl)-3H-quinolin-4-one.

Molecular Properties

Compound Name8-chloro-3-methyl-6-(trifluoromethyl)-3H-quinolin-4-one
PubChem CID171373017
Molecular FormulaC11H7ClF3NO
Molecular Weight261.63 g/mol
Exact Mass261.02
IUPAC Name8-chloro-3-methyl-6-(trifluoromethyl)-3H-quinolin-4-one
SMILESCC1C=Nc2c(Cl)cc(C(F)(F)F)cc2C1=O
InChIInChI=1S/C11H7ClF3NO/c1-5-4-16-9-7(10(5)17)2-6(3-8(9)12)11(13,14)15/h2-5H,1H3
InChIKeyGDLYUPUQLJETQN-UHFFFAOYSA-N
XLogP3.89
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.63
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-3-methyl-6-(trifluoromethyl)-3H-quinolin-4-one?
The IUPAC name of 8-chloro-3-methyl-6-(trifluoromethyl)-3H-quinolin-4-one (CID 171373017) is 8-chloro-3-methyl-6-(trifluoromethyl)-3H-quinolin-4-one.
What is the SMILES notation for 8-chloro-3-methyl-6-(trifluoromethyl)-3H-quinolin-4-one?
The canonical SMILES for 8-chloro-3-methyl-6-(trifluoromethyl)-3H-quinolin-4-one is CC1C=Nc2c(Cl)cc(C(F)(F)F)cc2C1=O.
What is the InChIKey of 8-chloro-3-methyl-6-(trifluoromethyl)-3H-quinolin-4-one?
The InChIKey is GDLYUPUQLJETQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClF3NO/c1-5-4-16-9-7(10(5)17)2-6(3-8(9)12)11(13,14)15/h2-5H,1H3.
What are the key properties of 8-chloro-3-methyl-6-(trifluoromethyl)-3H-quinolin-4-one?
8-chloro-3-methyl-6-(trifluoromethyl)-3H-quinolin-4-one has a molecular weight of 261.63 g/mol, XLogP of 3.89, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-3-methyl-6-(trifluoromethyl)-3H-quinolin-4-one is sourced from PubChem (CID 171373017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).