N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-2,6-dimethylquinoline-3-carboxamide

C22H21F3N2O3 — CID 55466432

IUPACN-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-2,6-dimethylquinoline-3-carboxamide
SMILESCOCCOc1ccc(C(F)(F)F)cc1NC(=O)c1cc2cc(C)ccc2nc1C
InChIInChI=1S/C22H21F3N2O3/c1-13-4-6-18-15(10-13)11-17(14(2)26-18)21(28)27-19-12-16(22(23,24)25)5-7-20(19)30-9-8-29-3/h4-7,10-12H,8-9H2,1-3H3,(H,27,28)
InChIKeyFZSAXQRZHUICNK-UHFFFAOYSA-N
MW418.42 g/mol
LogP5.15
Rot. Bonds6

About N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-2,6-dimethylquinoline-3-carboxamide

N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-2,6-dimethylquinoline-3-carboxamide (PubChem CID 55466432) has the molecular formula C22H21F3N2O3 and a molecular weight of 418.42 g/mol. Its IUPAC name is N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-2,6-dimethylquinoline-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-2,6-dimethylquinoline-3-carboxamide
PubChem CID55466432
Molecular FormulaC22H21F3N2O3
Molecular Weight418.42 g/mol
Exact Mass418.15
IUPAC NameN-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-2,6-dimethylquinoline-3-carboxamide
SMILESCOCCOc1ccc(C(F)(F)F)cc1NC(=O)c1cc2cc(C)ccc2nc1C
InChIInChI=1S/C22H21F3N2O3/c1-13-4-6-18-15(10-13)11-17(14(2)26-18)21(28)27-19-12-16(22(23,24)25)5-7-20(19)30-9-8-29-3/h4-7,10-12H,8-9H2,1-3H3,(H,27,28)
InChIKeyFZSAXQRZHUICNK-UHFFFAOYSA-N
XLogP5.15
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.42
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-2-methylquinoline-4-carboxamide
CID 26177646
N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-2-methyl-5-methylsulfanylbenzamide
CID 55532465
N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]quinoline-2-carboxamide
CID 26177558
N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-2-methyl-5-methylsulfonylbenzamide
CID 26177491
N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-2-oxochromene-3-carboxamide
CID 9268804
N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-5-methylpyrazine-2-carboxamide
CID 17439153
N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 17417002
N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]isoquinoline-1-carboxamide
CID 60604524
3,5-dimethoxy-N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]benzamide
CID 2671998
N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-4,5-dimethylthiophene-2-carboxamide
CID 78777792
3-methoxy-N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]benzamide
CID 4880939
N-(3-acetamido-4-methoxyphenyl)-2,6-dimethylquinoline-3-carboxamide
CID 33311358

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-2,6-dimethylquinoline-3-carboxamide?
The IUPAC name of N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-2,6-dimethylquinoline-3-carboxamide (CID 55466432) is N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-2,6-dimethylquinoline-3-carboxamide.
What is the SMILES notation for N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-2,6-dimethylquinoline-3-carboxamide?
The canonical SMILES for N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-2,6-dimethylquinoline-3-carboxamide is COCCOc1ccc(C(F)(F)F)cc1NC(=O)c1cc2cc(C)ccc2nc1C.
What is the InChIKey of N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-2,6-dimethylquinoline-3-carboxamide?
The InChIKey is FZSAXQRZHUICNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F3N2O3/c1-13-4-6-18-15(10-13)11-17(14(2)26-18)21(28)27-19-12-16(22(23,24)25)5-7-20(19)30-9-8-29-3/h4-7,10-12H,8-9H2,1-3H3,(H,27,28).
What are the key properties of N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-2,6-dimethylquinoline-3-carboxamide?
N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-2,6-dimethylquinoline-3-carboxamide has a molecular weight of 418.42 g/mol, XLogP of 5.15, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-2,6-dimethylquinoline-3-carboxamide is sourced from PubChem (CID 55466432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).