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

C11H8F3NO — CID 2775089

IUPAC8-methyl-2-(trifluoromethyl)-1H-quinolin-4-one
SMILESCc1cccc2c(=O)cc(C(F)(F)F)[nH]c12
InChIInChI=1S/C11H8F3NO/c1-6-3-2-4-7-8(16)5-9(11(12,13)14)15-10(6)7/h2-5H,1H3,(H,15,16)
InChIKeyHLPDICBGZTVELB-UHFFFAOYSA-N
MW227.19 g/mol
LogP2.86
Rot. Bonds

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

8-methyl-2-(trifluoromethyl)-1H-quinolin-4-one (PubChem CID 2775089) has the molecular formula C11H8F3NO and a molecular weight of 227.19 g/mol. Its IUPAC name is 8-methyl-2-(trifluoromethyl)-1H-quinolin-4-one.

Molecular Properties

Compound Name8-methyl-2-(trifluoromethyl)-1H-quinolin-4-one
PubChem CID2775089
Molecular FormulaC11H8F3NO
Molecular Weight227.19 g/mol
Exact Mass227.06
IUPAC Name8-methyl-2-(trifluoromethyl)-1H-quinolin-4-one
SMILESCc1cccc2c(=O)cc(C(F)(F)F)[nH]c12
InChIInChI=1S/C11H8F3NO/c1-6-3-2-4-7-8(16)5-9(11(12,13)14)15-10(6)7/h2-5H,1H3,(H,15,16)
InChIKeyHLPDICBGZTVELB-UHFFFAOYSA-N
XLogP2.86
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.19
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-2-(trifluoromethyl)-1H-quinolin-4-one?
The IUPAC name of 8-methyl-2-(trifluoromethyl)-1H-quinolin-4-one (CID 2775089) is 8-methyl-2-(trifluoromethyl)-1H-quinolin-4-one.
What is the SMILES notation for 8-methyl-2-(trifluoromethyl)-1H-quinolin-4-one?
The canonical SMILES for 8-methyl-2-(trifluoromethyl)-1H-quinolin-4-one is Cc1cccc2c(=O)cc(C(F)(F)F)[nH]c12.
What is the InChIKey of 8-methyl-2-(trifluoromethyl)-1H-quinolin-4-one?
The InChIKey is HLPDICBGZTVELB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3NO/c1-6-3-2-4-7-8(16)5-9(11(12,13)14)15-10(6)7/h2-5H,1H3,(H,15,16).
What are the key properties of 8-methyl-2-(trifluoromethyl)-1H-quinolin-4-one?
8-methyl-2-(trifluoromethyl)-1H-quinolin-4-one has a molecular weight of 227.19 g/mol, XLogP of 2.86, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-2-(trifluoromethyl)-1H-quinolin-4-one is sourced from PubChem (CID 2775089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).