4-(5-chloro-2-hydroxyphenyl)-3-ethoxy-1-methyl-7-(trifluoromethyl)quinolin-2-one

C19H15ClF3NO3 — CID 158682860

IUPAC4-(5-chloro-2-hydroxyphenyl)-3-ethoxy-1-methyl-7-(trifluoromethyl)quinolin-2-one
SMILESCCOc1c(-c2cc(Cl)ccc2O)c2ccc(C(F)(F)F)cc2n(C)c1=O
InChIInChI=1S/C19H15ClF3NO3/c1-3-27-17-16(13-9-11(20)5-7-15(13)25)12-6-4-10(19(21,22)23)8-14(12)24(2)18(17)26/h4-9,25H,3H2,1-2H3
InChIKeyIFIZFIUWHPFFJM-UHFFFAOYSA-N
MW397.78 g/mol
LogP4.98
Rot. Bonds3

About 4-(5-chloro-2-hydroxyphenyl)-3-ethoxy-1-methyl-7-(trifluoromethyl)quinolin-2-one

4-(5-chloro-2-hydroxyphenyl)-3-ethoxy-1-methyl-7-(trifluoromethyl)quinolin-2-one (PubChem CID 158682860) has the molecular formula C19H15ClF3NO3 and a molecular weight of 397.78 g/mol. Its IUPAC name is 4-(5-chloro-2-hydroxyphenyl)-3-ethoxy-1-methyl-7-(trifluoromethyl)quinolin-2-one.

Molecular Properties

Compound Name4-(5-chloro-2-hydroxyphenyl)-3-ethoxy-1-methyl-7-(trifluoromethyl)quinolin-2-one
PubChem CID158682860
Molecular FormulaC19H15ClF3NO3
Molecular Weight397.78 g/mol
Exact Mass397.07
IUPAC Name4-(5-chloro-2-hydroxyphenyl)-3-ethoxy-1-methyl-7-(trifluoromethyl)quinolin-2-one
SMILESCCOc1c(-c2cc(Cl)ccc2O)c2ccc(C(F)(F)F)cc2n(C)c1=O
InChIInChI=1S/C19H15ClF3NO3/c1-3-27-17-16(13-9-11(20)5-7-15(13)25)12-6-4-10(19(21,22)23)8-14(12)24(2)18(17)26/h4-9,25H,3H2,1-2H3
InChIKeyIFIZFIUWHPFFJM-UHFFFAOYSA-N
XLogP4.98
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.78
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(5-chloro-2-hydroxyphenyl)-3-ethoxy-1-methyl-7-(trifluoromethyl)quinolin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-4-(5-chloro-2-hydroxyphenyl)-1-methyl-6-(trifluoromethyl)quinolin-2-one
CID 54229322
3-(5-chloro-2-methoxyphenyl)-1-hydroxy-6-(trifluoromethyl)indol-2-ol
CID 90879987
2-[[4-(5-chloro-2-hydroxyphenyl)-2-oxo-6-(trifluoromethyl)-1H-quinolin-3-yl]sulfanyl]-N,N-diethylacetamide
CID 11167641
3-(2-aminoethyl)-1-methyl-7-(trifluoromethyl)quinazoline-2,4-dione
CID 117262969
4-(5-chloro-2-hydroxyphenyl)-3-(nitrosomethyl)-6-(trifluoromethyl)-1H-quinolin-2-one
CID 91056281
ethane;9-methyl-2,7-bis(trifluoromethyl)carbazole
CID 142508322
4-(5-chloro-2-hydroxyphenyl)-3-[(E)-hydroxyiminomethyl]-6-(trifluoromethyl)-1H-quinolin-2-one
CID 135549392
2-[[4-(5-chloro-2-hydroxyphenyl)-2-oxo-6-(trifluoromethyl)-1H-quinolin-3-yl]sulfanyl]-N-(cyclopropylmethyl)-N-propylacetamide
CID 22245006
8-amino-7-hydroxy-5-methyl-2-(trifluoromethyl)phenanthridin-6-one
CID 154541533
[6-chloro-4-(2-chlorophenyl)-1-methyl-2-oxoquinolin-3-yl] propanoate
CID 174331834
4-(5-chloro-2-hydroxyphenyl)-3-(4-hydroxyphenyl)sulfanyl-6-(trifluoromethyl)-1H-quinolin-2-one
CID 11294207
4-(5-chloro-2-hydroxyphenyl)-3-[4-(cyclohexylmethylamino)-2-oxobutyl]sulfanyl-6-(trifluoromethyl)-1H-quinolin-2-one
CID 22244996

Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-2-hydroxyphenyl)-3-ethoxy-1-methyl-7-(trifluoromethyl)quinolin-2-one?
The IUPAC name of 4-(5-chloro-2-hydroxyphenyl)-3-ethoxy-1-methyl-7-(trifluoromethyl)quinolin-2-one (CID 158682860) is 4-(5-chloro-2-hydroxyphenyl)-3-ethoxy-1-methyl-7-(trifluoromethyl)quinolin-2-one.
What is the SMILES notation for 4-(5-chloro-2-hydroxyphenyl)-3-ethoxy-1-methyl-7-(trifluoromethyl)quinolin-2-one?
The canonical SMILES for 4-(5-chloro-2-hydroxyphenyl)-3-ethoxy-1-methyl-7-(trifluoromethyl)quinolin-2-one is CCOc1c(-c2cc(Cl)ccc2O)c2ccc(C(F)(F)F)cc2n(C)c1=O.
What is the InChIKey of 4-(5-chloro-2-hydroxyphenyl)-3-ethoxy-1-methyl-7-(trifluoromethyl)quinolin-2-one?
The InChIKey is IFIZFIUWHPFFJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClF3NO3/c1-3-27-17-16(13-9-11(20)5-7-15(13)25)12-6-4-10(19(21,22)23)8-14(12)24(2)18(17)26/h4-9,25H,3H2,1-2H3.
What are the key properties of 4-(5-chloro-2-hydroxyphenyl)-3-ethoxy-1-methyl-7-(trifluoromethyl)quinolin-2-one?
4-(5-chloro-2-hydroxyphenyl)-3-ethoxy-1-methyl-7-(trifluoromethyl)quinolin-2-one has a molecular weight of 397.78 g/mol, XLogP of 4.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-2-hydroxyphenyl)-3-ethoxy-1-methyl-7-(trifluoromethyl)quinolin-2-one is sourced from PubChem (CID 158682860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).