N-(2,5-difluorophenyl)-1-ethyl-4-oxo-6-(trifluoromethyl)quinoline-3-carboxamide

C19H13F5N2O2 — CID 30133811

IUPACN-(2,5-difluorophenyl)-1-ethyl-4-oxo-6-(trifluoromethyl)quinoline-3-carboxamide
SMILESCCn1cc(C(=O)Nc2cc(F)ccc2F)c(=O)c2cc(C(F)(F)F)ccc21
InChIInChI=1S/C19H13F5N2O2/c1-2-26-9-13(18(28)25-15-8-11(20)4-5-14(15)21)17(27)12-7-10(19(22,23)24)3-6-16(12)26/h3-9H,2H2,1H3,(H,25,28)
InChIKeyDATAKBFYLOIVGL-UHFFFAOYSA-N
MW396.32 g/mol
LogP4.57
Rot. Bonds3

About N-(2,5-difluorophenyl)-1-ethyl-4-oxo-6-(trifluoromethyl)quinoline-3-carboxamide

N-(2,5-difluorophenyl)-1-ethyl-4-oxo-6-(trifluoromethyl)quinoline-3-carboxamide (PubChem CID 30133811) has the molecular formula C19H13F5N2O2 and a molecular weight of 396.32 g/mol. Its IUPAC name is N-(2,5-difluorophenyl)-1-ethyl-4-oxo-6-(trifluoromethyl)quinoline-3-carboxamide.

Molecular Properties

Compound NameN-(2,5-difluorophenyl)-1-ethyl-4-oxo-6-(trifluoromethyl)quinoline-3-carboxamide
PubChem CID30133811
Molecular FormulaC19H13F5N2O2
Molecular Weight396.32 g/mol
Exact Mass396.09
IUPAC NameN-(2,5-difluorophenyl)-1-ethyl-4-oxo-6-(trifluoromethyl)quinoline-3-carboxamide
SMILESCCn1cc(C(=O)Nc2cc(F)ccc2F)c(=O)c2cc(C(F)(F)F)ccc21
InChIInChI=1S/C19H13F5N2O2/c1-2-26-9-13(18(28)25-15-8-11(20)4-5-14(15)21)17(27)12-7-10(19(22,23)24)3-6-16(12)26/h3-9H,2H2,1H3,(H,25,28)
InChIKeyDATAKBFYLOIVGL-UHFFFAOYSA-N
XLogP4.57
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.32
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,5-difluorophenyl)-1-ethyl-6-methoxy-4-oxoquinoline-3-carboxamide
CID 30133112
N-(2,4-dichlorophenyl)-1-ethyl-4-oxo-6-(trifluoromethyl)quinoline-3-carboxamide
CID 30133604
N-(4-bromo-2-fluorophenyl)-1-ethyl-4-oxo-6-(trifluoromethyl)quinoline-3-carboxamide
CID 30133617
N-(2,4-dimethylphenyl)-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxamide
CID 39850917
1-ethyl-6-fluoro-N-(2-methoxyphenyl)-4-oxoquinoline-3-carboxamide
CID 39850828
N-(2,3-dimethylphenyl)-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxamide
CID 39850888
N-(2,5-dimethoxyphenyl)-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxamide
CID 39850934
ethyl 4-[(1-ethyl-6-fluoro-4-oxoquinoline-3-carbonyl)amino]benzoate
CID 39850939
1-ethyl-N-(3-methoxypropyl)-4-oxo-6-(trifluoromethyl)quinoline-3-carboxamide
CID 30133526
N-benzhydryl-1-ethyl-4-oxo-6-(trifluoromethyl)quinoline-3-carboxamide
CID 30133766
N-(2,4-dimethoxyphenyl)-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxamide
CID 39851001
N-[4-chloro-2-(trifluoromethyl)phenyl]-1-ethyl-6-methyl-4-oxoquinoline-3-carboxamide
CID 30132118

Frequently Asked Questions

What is the IUPAC name of N-(2,5-difluorophenyl)-1-ethyl-4-oxo-6-(trifluoromethyl)quinoline-3-carboxamide?
The IUPAC name of N-(2,5-difluorophenyl)-1-ethyl-4-oxo-6-(trifluoromethyl)quinoline-3-carboxamide (CID 30133811) is N-(2,5-difluorophenyl)-1-ethyl-4-oxo-6-(trifluoromethyl)quinoline-3-carboxamide.
What is the SMILES notation for N-(2,5-difluorophenyl)-1-ethyl-4-oxo-6-(trifluoromethyl)quinoline-3-carboxamide?
The canonical SMILES for N-(2,5-difluorophenyl)-1-ethyl-4-oxo-6-(trifluoromethyl)quinoline-3-carboxamide is CCn1cc(C(=O)Nc2cc(F)ccc2F)c(=O)c2cc(C(F)(F)F)ccc21.
What is the InChIKey of N-(2,5-difluorophenyl)-1-ethyl-4-oxo-6-(trifluoromethyl)quinoline-3-carboxamide?
The InChIKey is DATAKBFYLOIVGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F5N2O2/c1-2-26-9-13(18(28)25-15-8-11(20)4-5-14(15)21)17(27)12-7-10(19(22,23)24)3-6-16(12)26/h3-9H,2H2,1H3,(H,25,28).
What are the key properties of N-(2,5-difluorophenyl)-1-ethyl-4-oxo-6-(trifluoromethyl)quinoline-3-carboxamide?
N-(2,5-difluorophenyl)-1-ethyl-4-oxo-6-(trifluoromethyl)quinoline-3-carboxamide has a molecular weight of 396.32 g/mol, XLogP of 4.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-difluorophenyl)-1-ethyl-4-oxo-6-(trifluoromethyl)quinoline-3-carboxamide is sourced from PubChem (CID 30133811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).