N-(2,4-dichlorophenyl)-4-hydroxy-N,1-dimethyl-2-oxo-8-(trifluoromethyl)quinoline-3-carboxamide

C19H13Cl2F3N2O3 — CID 54726307

IUPACN-(2,4-dichlorophenyl)-4-hydroxy-N,1-dimethyl-2-oxo-8-(trifluoromethyl)quinoline-3-carboxamide
SMILESCN(C(=O)c1c(O)c2cccc(C(F)(F)F)c2n(C)c1=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C19H13Cl2F3N2O3/c1-25(13-7-6-9(20)8-12(13)21)17(28)14-16(27)10-4-3-5-11(19(22,23)24)15(10)26(2)18(14)29/h3-8,27H,1-2H3
InChIKeyLFBAUYLXVISXPE-UHFFFAOYSA-N
MW445.22 g/mol
LogP4.85
Rot. Bonds2

About N-(2,4-dichlorophenyl)-4-hydroxy-N,1-dimethyl-2-oxo-8-(trifluoromethyl)quinoline-3-carboxamide

N-(2,4-dichlorophenyl)-4-hydroxy-N,1-dimethyl-2-oxo-8-(trifluoromethyl)quinoline-3-carboxamide (PubChem CID 54726307) has the molecular formula C19H13Cl2F3N2O3 and a molecular weight of 445.22 g/mol. Its IUPAC name is N-(2,4-dichlorophenyl)-4-hydroxy-N,1-dimethyl-2-oxo-8-(trifluoromethyl)quinoline-3-carboxamide.

Molecular Properties

Compound NameN-(2,4-dichlorophenyl)-4-hydroxy-N,1-dimethyl-2-oxo-8-(trifluoromethyl)quinoline-3-carboxamide
PubChem CID54726307
Molecular FormulaC19H13Cl2F3N2O3
Molecular Weight445.22 g/mol
Exact Mass444.03
IUPAC NameN-(2,4-dichlorophenyl)-4-hydroxy-N,1-dimethyl-2-oxo-8-(trifluoromethyl)quinoline-3-carboxamide
SMILESCN(C(=O)c1c(O)c2cccc(C(F)(F)F)c2n(C)c1=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C19H13Cl2F3N2O3/c1-25(13-7-6-9(20)8-12(13)21)17(28)14-16(27)10-4-3-5-11(19(22,23)24)15(10)26(2)18(14)29/h3-8,27H,1-2H3
InChIKeyLFBAUYLXVISXPE-UHFFFAOYSA-N
XLogP4.85
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.22
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dichlorophenyl)-4-hydroxy-N,1-dimethyl-2-oxo-8-(trifluoromethyl)quinoline-3-carboxamide?
The IUPAC name of N-(2,4-dichlorophenyl)-4-hydroxy-N,1-dimethyl-2-oxo-8-(trifluoromethyl)quinoline-3-carboxamide (CID 54726307) is N-(2,4-dichlorophenyl)-4-hydroxy-N,1-dimethyl-2-oxo-8-(trifluoromethyl)quinoline-3-carboxamide.
What is the SMILES notation for N-(2,4-dichlorophenyl)-4-hydroxy-N,1-dimethyl-2-oxo-8-(trifluoromethyl)quinoline-3-carboxamide?
The canonical SMILES for N-(2,4-dichlorophenyl)-4-hydroxy-N,1-dimethyl-2-oxo-8-(trifluoromethyl)quinoline-3-carboxamide is CN(C(=O)c1c(O)c2cccc(C(F)(F)F)c2n(C)c1=O)c1ccc(Cl)cc1Cl.
What is the InChIKey of N-(2,4-dichlorophenyl)-4-hydroxy-N,1-dimethyl-2-oxo-8-(trifluoromethyl)quinoline-3-carboxamide?
The InChIKey is LFBAUYLXVISXPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13Cl2F3N2O3/c1-25(13-7-6-9(20)8-12(13)21)17(28)14-16(27)10-4-3-5-11(19(22,23)24)15(10)26(2)18(14)29/h3-8,27H,1-2H3.
What are the key properties of N-(2,4-dichlorophenyl)-4-hydroxy-N,1-dimethyl-2-oxo-8-(trifluoromethyl)quinoline-3-carboxamide?
N-(2,4-dichlorophenyl)-4-hydroxy-N,1-dimethyl-2-oxo-8-(trifluoromethyl)quinoline-3-carboxamide has a molecular weight of 445.22 g/mol, XLogP of 4.85, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dichlorophenyl)-4-hydroxy-N,1-dimethyl-2-oxo-8-(trifluoromethyl)quinoline-3-carboxamide is sourced from PubChem (CID 54726307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).