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

C19H13Cl2F3N2O2 — CID 30133604

IUPACN-(2,4-dichlorophenyl)-1-ethyl-4-oxo-6-(trifluoromethyl)quinoline-3-carboxamide
SMILESCCn1cc(C(=O)Nc2ccc(Cl)cc2Cl)c(=O)c2cc(C(F)(F)F)ccc21
InChIInChI=1S/C19H13Cl2F3N2O2/c1-2-26-9-13(18(28)25-15-5-4-11(20)8-14(15)21)17(27)12-7-10(19(22,23)24)3-6-16(12)26/h3-9H,2H2,1H3,(H,25,28)
InChIKeyGRONKNRGQKVAEU-UHFFFAOYSA-N
MW429.23 g/mol
LogP5.60
Rot. Bonds3

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

N-(2,4-dichlorophenyl)-1-ethyl-4-oxo-6-(trifluoromethyl)quinoline-3-carboxamide (PubChem CID 30133604) has the molecular formula C19H13Cl2F3N2O2 and a molecular weight of 429.23 g/mol. Its IUPAC name is N-(2,4-dichlorophenyl)-1-ethyl-4-oxo-6-(trifluoromethyl)quinoline-3-carboxamide.

Molecular Properties

Compound NameN-(2,4-dichlorophenyl)-1-ethyl-4-oxo-6-(trifluoromethyl)quinoline-3-carboxamide
PubChem CID30133604
Molecular FormulaC19H13Cl2F3N2O2
Molecular Weight429.23 g/mol
Exact Mass428.03
IUPAC NameN-(2,4-dichlorophenyl)-1-ethyl-4-oxo-6-(trifluoromethyl)quinoline-3-carboxamide
SMILESCCn1cc(C(=O)Nc2ccc(Cl)cc2Cl)c(=O)c2cc(C(F)(F)F)ccc21
InChIInChI=1S/C19H13Cl2F3N2O2/c1-2-26-9-13(18(28)25-15-5-4-11(20)8-14(15)21)17(27)12-7-10(19(22,23)24)3-6-16(12)26/h3-9H,2H2,1H3,(H,25,28)
InChIKeyGRONKNRGQKVAEU-UHFFFAOYSA-N
XLogP5.60
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.23
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,5-difluorophenyl)-1-ethyl-4-oxo-6-(trifluoromethyl)quinoline-3-carboxamide
CID 30133811
N-(4-bromo-2-fluorophenyl)-1-ethyl-4-oxo-6-(trifluoromethyl)quinoline-3-carboxamide
CID 30133617
N-[4-chloro-2-(trifluoromethyl)phenyl]-1-ethyl-6-methyl-4-oxoquinoline-3-carboxamide
CID 30132118
N-(2-bromophenyl)-6-chloro-1-ethyl-4-oxoquinoline-3-carboxamide
CID 30132224
N-benzhydryl-1-ethyl-4-oxo-6-(trifluoromethyl)quinoline-3-carboxamide
CID 30133766
N-(5-chloro-2-methoxyphenyl)-1-ethyl-6-methoxy-4-oxoquinoline-3-carboxamide
CID 30132938
1-ethyl-N-(3-methoxypropyl)-4-oxo-6-(trifluoromethyl)quinoline-3-carboxamide
CID 30133526
1-ethyl-N-[(2S)-1-methoxypropan-2-yl]-4-oxo-6-(trifluoromethyl)quinoline-3-carboxamide
CID 30133768
2-(butanoylamino)-5-chloro-N-[2-chloro-4-(trifluoromethyl)phenyl]benzamide
CID 139521347
6-chloro-1-ethyl-N-(2-hydroxyethyl)-4-oxoquinoline-3-carboxamide
CID 30132194
6-chloro-N-cycloheptyl-1-ethyl-4-oxoquinoline-3-carboxamide
CID 30132192
N-(2,4-dimethylphenyl)-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxamide
CID 39850917

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dichlorophenyl)-1-ethyl-4-oxo-6-(trifluoromethyl)quinoline-3-carboxamide?
The IUPAC name of N-(2,4-dichlorophenyl)-1-ethyl-4-oxo-6-(trifluoromethyl)quinoline-3-carboxamide (CID 30133604) is N-(2,4-dichlorophenyl)-1-ethyl-4-oxo-6-(trifluoromethyl)quinoline-3-carboxamide.
What is the SMILES notation for N-(2,4-dichlorophenyl)-1-ethyl-4-oxo-6-(trifluoromethyl)quinoline-3-carboxamide?
The canonical SMILES for N-(2,4-dichlorophenyl)-1-ethyl-4-oxo-6-(trifluoromethyl)quinoline-3-carboxamide is CCn1cc(C(=O)Nc2ccc(Cl)cc2Cl)c(=O)c2cc(C(F)(F)F)ccc21.
What is the InChIKey of N-(2,4-dichlorophenyl)-1-ethyl-4-oxo-6-(trifluoromethyl)quinoline-3-carboxamide?
The InChIKey is GRONKNRGQKVAEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13Cl2F3N2O2/c1-2-26-9-13(18(28)25-15-5-4-11(20)8-14(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-(2,4-dichlorophenyl)-1-ethyl-4-oxo-6-(trifluoromethyl)quinoline-3-carboxamide?
N-(2,4-dichlorophenyl)-1-ethyl-4-oxo-6-(trifluoromethyl)quinoline-3-carboxamide has a molecular weight of 429.23 g/mol, XLogP of 5.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dichlorophenyl)-1-ethyl-4-oxo-6-(trifluoromethyl)quinoline-3-carboxamide is sourced from PubChem (CID 30133604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).