6-methyl-2-(trichloromethyl)-1H-quinolin-4-one

C11H8Cl3NO — CID 121220814

IUPAC6-methyl-2-(trichloromethyl)-1H-quinolin-4-one
SMILESCc1ccc2[nH]c(C(Cl)(Cl)Cl)cc(=O)c2c1
InChIInChI=1S/C11H8Cl3NO/c1-6-2-3-8-7(4-6)9(16)5-10(15-8)11(12,13)14/h2-5H,1H3,(H,15,16)
InChIKeyQXTUFNPHXWEJGE-UHFFFAOYSA-N
MW276.55 g/mol
LogP3.66
Rot. Bonds

About 6-methyl-2-(trichloromethyl)-1H-quinolin-4-one

6-methyl-2-(trichloromethyl)-1H-quinolin-4-one (PubChem CID 121220814) has the molecular formula C11H8Cl3NO and a molecular weight of 276.55 g/mol. Its IUPAC name is 6-methyl-2-(trichloromethyl)-1H-quinolin-4-one.

Molecular Properties

Compound Name6-methyl-2-(trichloromethyl)-1H-quinolin-4-one
PubChem CID121220814
Molecular FormulaC11H8Cl3NO
Molecular Weight276.55 g/mol
Exact Mass274.97
IUPAC Name6-methyl-2-(trichloromethyl)-1H-quinolin-4-one
SMILESCc1ccc2[nH]c(C(Cl)(Cl)Cl)cc(=O)c2c1
InChIInChI=1S/C11H8Cl3NO/c1-6-2-3-8-7(4-6)9(16)5-10(15-8)11(12,13)14/h2-5H,1H3,(H,15,16)
InChIKeyQXTUFNPHXWEJGE-UHFFFAOYSA-N
XLogP3.66
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.55
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(trichloromethyl)-1H-quinolin-4-one?
The IUPAC name of 6-methyl-2-(trichloromethyl)-1H-quinolin-4-one (CID 121220814) is 6-methyl-2-(trichloromethyl)-1H-quinolin-4-one.
What is the SMILES notation for 6-methyl-2-(trichloromethyl)-1H-quinolin-4-one?
The canonical SMILES for 6-methyl-2-(trichloromethyl)-1H-quinolin-4-one is Cc1ccc2[nH]c(C(Cl)(Cl)Cl)cc(=O)c2c1.
What is the InChIKey of 6-methyl-2-(trichloromethyl)-1H-quinolin-4-one?
The InChIKey is QXTUFNPHXWEJGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl3NO/c1-6-2-3-8-7(4-6)9(16)5-10(15-8)11(12,13)14/h2-5H,1H3,(H,15,16).
What are the key properties of 6-methyl-2-(trichloromethyl)-1H-quinolin-4-one?
6-methyl-2-(trichloromethyl)-1H-quinolin-4-one has a molecular weight of 276.55 g/mol, XLogP of 3.66, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(trichloromethyl)-1H-quinolin-4-one is sourced from PubChem (CID 121220814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).