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

C11H7ClF3NO — CID 121236451

IUPAC3-chloro-2-methyl-8-(trifluoromethyl)-1H-quinolin-4-one
SMILESCc1[nH]c2c(C(F)(F)F)cccc2c(=O)c1Cl
InChIInChI=1S/C11H7ClF3NO/c1-5-8(12)10(17)6-3-2-4-7(9(6)16-5)11(13,14)15/h2-4H,1H3,(H,16,17)
InChIKeyQWPXSHHDPMWKEH-UHFFFAOYSA-N
MW261.63 g/mol
LogP3.51
Rot. Bonds

About 3-chloro-2-methyl-8-(trifluoromethyl)-1H-quinolin-4-one

3-chloro-2-methyl-8-(trifluoromethyl)-1H-quinolin-4-one (PubChem CID 121236451) has the molecular formula C11H7ClF3NO and a molecular weight of 261.63 g/mol. Its IUPAC name is 3-chloro-2-methyl-8-(trifluoromethyl)-1H-quinolin-4-one.

Molecular Properties

Compound Name3-chloro-2-methyl-8-(trifluoromethyl)-1H-quinolin-4-one
PubChem CID121236451
Molecular FormulaC11H7ClF3NO
Molecular Weight261.63 g/mol
Exact Mass261.02
IUPAC Name3-chloro-2-methyl-8-(trifluoromethyl)-1H-quinolin-4-one
SMILESCc1[nH]c2c(C(F)(F)F)cccc2c(=O)c1Cl
InChIInChI=1S/C11H7ClF3NO/c1-5-8(12)10(17)6-3-2-4-7(9(6)16-5)11(13,14)15/h2-4H,1H3,(H,16,17)
InChIKeyQWPXSHHDPMWKEH-UHFFFAOYSA-N
XLogP3.51
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.63
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-methyl-8-(trifluoromethyl)-1H-quinolin-4-one?
The IUPAC name of 3-chloro-2-methyl-8-(trifluoromethyl)-1H-quinolin-4-one (CID 121236451) is 3-chloro-2-methyl-8-(trifluoromethyl)-1H-quinolin-4-one.
What is the SMILES notation for 3-chloro-2-methyl-8-(trifluoromethyl)-1H-quinolin-4-one?
The canonical SMILES for 3-chloro-2-methyl-8-(trifluoromethyl)-1H-quinolin-4-one is Cc1[nH]c2c(C(F)(F)F)cccc2c(=O)c1Cl.
What is the InChIKey of 3-chloro-2-methyl-8-(trifluoromethyl)-1H-quinolin-4-one?
The InChIKey is QWPXSHHDPMWKEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClF3NO/c1-5-8(12)10(17)6-3-2-4-7(9(6)16-5)11(13,14)15/h2-4H,1H3,(H,16,17).
What are the key properties of 3-chloro-2-methyl-8-(trifluoromethyl)-1H-quinolin-4-one?
3-chloro-2-methyl-8-(trifluoromethyl)-1H-quinolin-4-one has a molecular weight of 261.63 g/mol, XLogP of 3.51, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-methyl-8-(trifluoromethyl)-1H-quinolin-4-one is sourced from PubChem (CID 121236451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).