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

C10H5ClF3NO — CID 125365605

IUPAC8-chloro-6-(trifluoromethyl)-3H-quinolin-4-one
SMILESO=C1CC=Nc2c(Cl)cc(C(F)(F)F)cc21
InChIInChI=1S/C10H5ClF3NO/c11-7-4-5(10(12,13)14)3-6-8(16)1-2-15-9(6)7/h2-4H,1H2
InChIKeyFEPGAQJDIWCWBB-UHFFFAOYSA-N
MW247.60 g/mol
LogP3.65
Rot. Bonds

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

8-chloro-6-(trifluoromethyl)-3H-quinolin-4-one (PubChem CID 125365605) has the molecular formula C10H5ClF3NO and a molecular weight of 247.60 g/mol. Its IUPAC name is 8-chloro-6-(trifluoromethyl)-3H-quinolin-4-one.

Molecular Properties

Compound Name8-chloro-6-(trifluoromethyl)-3H-quinolin-4-one
PubChem CID125365605
Molecular FormulaC10H5ClF3NO
Molecular Weight247.60 g/mol
Exact Mass247.00
IUPAC Name8-chloro-6-(trifluoromethyl)-3H-quinolin-4-one
SMILESO=C1CC=Nc2c(Cl)cc(C(F)(F)F)cc21
InChIInChI=1S/C10H5ClF3NO/c11-7-4-5(10(12,13)14)3-6-8(16)1-2-15-9(6)7/h2-4H,1H2
InChIKeyFEPGAQJDIWCWBB-UHFFFAOYSA-N
XLogP3.65
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.60
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

8-chloro-3H-quinolin-4-one
CID 129782667
8-(trifluoromethyl)-3H-quinolin-4-one
CID 129972247
3-(4-chlorophenyl)-6,8-difluoro-3H-quinolin-4-one
CID 141228274
2-Chloro-1-(3,8-difluoro-3,4-dihydroquinolin-6-yl)ethanone
CID 172214755
2-chloro-1-(3,3,8-trifluoro-4H-quinolin-6-yl)ethanone
CID 172214759
1-[4-Amino-3-chloro-5-(trifluoromethyl)phenyl]-2-(2-iminoethyl)-2,5,5-trimethylhexan-1-one
CID 174630025
7-Chloro-5-fluoroindol-3-one
CID 175052618
6-(trifluoromethyl)-3H-quinolin-4-one
CID 177724295
8-Chloro-3,4-dihydro-2-methyl-4-oxoquinoline
CID 606330
1-(2-Amino-3-chloro-5-trifluoromethyl-phenyl)-ethanone
CID 119017035
6-Chloro-7-fluoro-3,4-dihydroquinolin-4-one
CID 165477405
8-Chloro-6-fluoro-3,4-dihydroquinolin-4-one
CID 165489575

Frequently Asked Questions

What is the IUPAC name of 8-chloro-6-(trifluoromethyl)-3H-quinolin-4-one?
The IUPAC name of 8-chloro-6-(trifluoromethyl)-3H-quinolin-4-one (CID 125365605) is 8-chloro-6-(trifluoromethyl)-3H-quinolin-4-one.
What is the SMILES notation for 8-chloro-6-(trifluoromethyl)-3H-quinolin-4-one?
The canonical SMILES for 8-chloro-6-(trifluoromethyl)-3H-quinolin-4-one is O=C1CC=Nc2c(Cl)cc(C(F)(F)F)cc21.
What is the InChIKey of 8-chloro-6-(trifluoromethyl)-3H-quinolin-4-one?
The InChIKey is FEPGAQJDIWCWBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5ClF3NO/c11-7-4-5(10(12,13)14)3-6-8(16)1-2-15-9(6)7/h2-4H,1H2.
What are the key properties of 8-chloro-6-(trifluoromethyl)-3H-quinolin-4-one?
8-chloro-6-(trifluoromethyl)-3H-quinolin-4-one has a molecular weight of 247.60 g/mol, XLogP of 3.65, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-6-(trifluoromethyl)-3H-quinolin-4-one is sourced from PubChem (CID 125365605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).