6-(2,4-dichlorophenyl)-4-(trifluoromethyl)-1H-quinolin-2-one

C16H8Cl2F3NO — CID 22279211

IUPAC6-(2,4-dichlorophenyl)-4-(trifluoromethyl)-1H-quinolin-2-one
SMILESO=c1cc(C(F)(F)F)c2cc(-c3ccc(Cl)cc3Cl)ccc2[nH]1
InChIInChI=1S/C16H8Cl2F3NO/c17-9-2-3-10(13(18)6-9)8-1-4-14-11(5-8)12(16(19,20)21)7-15(23)22-14/h1-7H,(H,22,23)
InChIKeyKSABWWAJOSLJJU-UHFFFAOYSA-N
MW358.15 g/mol
LogP5.52
Rot. Bonds1

About 6-(2,4-dichlorophenyl)-4-(trifluoromethyl)-1H-quinolin-2-one

6-(2,4-dichlorophenyl)-4-(trifluoromethyl)-1H-quinolin-2-one (PubChem CID 22279211) has the molecular formula C16H8Cl2F3NO and a molecular weight of 358.15 g/mol. Its IUPAC name is 6-(2,4-dichlorophenyl)-4-(trifluoromethyl)-1H-quinolin-2-one.

Molecular Properties

Compound Name6-(2,4-dichlorophenyl)-4-(trifluoromethyl)-1H-quinolin-2-one
PubChem CID22279211
Molecular FormulaC16H8Cl2F3NO
Molecular Weight358.15 g/mol
Exact Mass356.99
IUPAC Name6-(2,4-dichlorophenyl)-4-(trifluoromethyl)-1H-quinolin-2-one
SMILESO=c1cc(C(F)(F)F)c2cc(-c3ccc(Cl)cc3Cl)ccc2[nH]1
InChIInChI=1S/C16H8Cl2F3NO/c17-9-2-3-10(13(18)6-9)8-1-4-14-11(5-8)12(16(19,20)21)7-15(23)22-14/h1-7H,(H,22,23)
InChIKeyKSABWWAJOSLJJU-UHFFFAOYSA-N
XLogP5.52
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.15
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-Chloro-N-[2-(4-chlorophenyl)phenyl]-6-oxo-1H-pyridine-3-carboxamide
CID 139595262
7-(4-Amino-2-Chlorophenyl)-4-Methylquinolin-2(1h)-One
CID 71576801
7-chloro-4,8-dimethylquinolin-2(1H)-one
CID 888640
N-[4-[2-chloro-5-(trifluoromethyl)phenyl]phenyl]-2,6-difluorobenzamide
CID 11418465
(2z)-N-[2'-chloro-3-(trifluoromethyl)biphenyl-4-yl]-2-cyano-3-hydroxybut-2-enamide
CID 54727974
3-(2-chlorophenyl)-N-(4-propan-2-ylphenyl)prop-2-enamide
CID 776962
3-(2-chlorophenyl)-N-(4-isopropylphenyl)acrylamide
CID 776964
7-(2-chlorophenyl)-4-methyl-1H-quinolin-2-one
CID 71681830
(2E)-3-(2,4-dichlorophenyl)-N-(2-fluorophenyl)prop-2-enamide
CID 700919
6-[(4-chlorophenyl)-phenylmethyl]-4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1H-quinolin-2-one
CID 118329959
5,7-Dichloro-1,2-dihydroquinolin-2-one
CID 29923482
N-[4-[(E)-2-(2,4-dichlorophenyl)-1-phenylbut-1-enyl]phenyl]-2-methylpropanamide
CID 127050820

Frequently Asked Questions

What is the IUPAC name of 6-(2,4-dichlorophenyl)-4-(trifluoromethyl)-1H-quinolin-2-one?
The IUPAC name of 6-(2,4-dichlorophenyl)-4-(trifluoromethyl)-1H-quinolin-2-one (CID 22279211) is 6-(2,4-dichlorophenyl)-4-(trifluoromethyl)-1H-quinolin-2-one.
What is the SMILES notation for 6-(2,4-dichlorophenyl)-4-(trifluoromethyl)-1H-quinolin-2-one?
The canonical SMILES for 6-(2,4-dichlorophenyl)-4-(trifluoromethyl)-1H-quinolin-2-one is O=c1cc(C(F)(F)F)c2cc(-c3ccc(Cl)cc3Cl)ccc2[nH]1.
What is the InChIKey of 6-(2,4-dichlorophenyl)-4-(trifluoromethyl)-1H-quinolin-2-one?
The InChIKey is KSABWWAJOSLJJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H8Cl2F3NO/c17-9-2-3-10(13(18)6-9)8-1-4-14-11(5-8)12(16(19,20)21)7-15(23)22-14/h1-7H,(H,22,23).
What are the key properties of 6-(2,4-dichlorophenyl)-4-(trifluoromethyl)-1H-quinolin-2-one?
6-(2,4-dichlorophenyl)-4-(trifluoromethyl)-1H-quinolin-2-one has a molecular weight of 358.15 g/mol, XLogP of 5.52, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4-dichlorophenyl)-4-(trifluoromethyl)-1H-quinolin-2-one is sourced from PubChem (CID 22279211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).