4-methyl-N-(pyridin-2-ylmethyl)-6-(2,2,2-trifluoroethoxy)-8-(trifluoromethyl)quinoline-2-carboxamide

C20H15F6N3O2 — CID 88577776

IUPAC4-methyl-N-(pyridin-2-ylmethyl)-6-(2,2,2-trifluoroethoxy)-8-(trifluoromethyl)quinoline-2-carboxamide
SMILESCc1cc(C(=O)NCc2ccccn2)nc2c(C(F)(F)F)cc(OCC(F)(F)F)cc12
InChIInChI=1S/C20H15F6N3O2/c1-11-6-16(18(30)28-9-12-4-2-3-5-27-12)29-17-14(11)7-13(31-10-19(21,22)23)8-15(17)20(24,25)26/h2-8H,9-10H2,1H3,(H,28,30)
InChIKeySUVDAQOUWPIFBS-UHFFFAOYSA-N
MW443.35 g/mol
LogP4.83
Rot. Bonds5

About 4-methyl-N-(pyridin-2-ylmethyl)-6-(2,2,2-trifluoroethoxy)-8-(trifluoromethyl)quinoline-2-carboxamide

4-methyl-N-(pyridin-2-ylmethyl)-6-(2,2,2-trifluoroethoxy)-8-(trifluoromethyl)quinoline-2-carboxamide (PubChem CID 88577776) has the molecular formula C20H15F6N3O2 and a molecular weight of 443.35 g/mol. Its IUPAC name is 4-methyl-N-(pyridin-2-ylmethyl)-6-(2,2,2-trifluoroethoxy)-8-(trifluoromethyl)quinoline-2-carboxamide.

Molecular Properties

Compound Name4-methyl-N-(pyridin-2-ylmethyl)-6-(2,2,2-trifluoroethoxy)-8-(trifluoromethyl)quinoline-2-carboxamide
PubChem CID88577776
Molecular FormulaC20H15F6N3O2
Molecular Weight443.35 g/mol
Exact Mass443.11
IUPAC Name4-methyl-N-(pyridin-2-ylmethyl)-6-(2,2,2-trifluoroethoxy)-8-(trifluoromethyl)quinoline-2-carboxamide
SMILESCc1cc(C(=O)NCc2ccccn2)nc2c(C(F)(F)F)cc(OCC(F)(F)F)cc12
InChIInChI=1S/C20H15F6N3O2/c1-11-6-16(18(30)28-9-12-4-2-3-5-27-12)29-17-14(11)7-13(31-10-19(21,22)23)8-15(17)20(24,25)26/h2-8H,9-10H2,1H3,(H,28,30)
InChIKeySUVDAQOUWPIFBS-UHFFFAOYSA-N
XLogP4.83
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.35
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-methyl-N-(pyridin-2-ylmethyl)-6-(2,2,2-trifluoroethoxy)-8-(trifluoromethyl)quinoline-2-carboxamide with MolForge

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Related Compounds

ethyl 6-hydroxy-4-methyl-8-(trifluoromethyl)quinoline-2-carboxylate;6-methoxy-4-methyl-N-(pyridin-2-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide
CID 158327829
6-[butyl(methyl)amino]-4-methyl-N-(pyridin-2-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide
CID 54759471
4-amino-6-(cyclopenten-1-yl)-N-(pyridin-2-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide
CID 70649616
4-methyl-N-[3-oxo-3-(pyridin-2-ylmethylamino)propyl]quinoline-2-carboxamide
CID 86798695
5-hydroxy-N-(pyridin-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)benzamide
CID 13037178
2,5-dimethoxy-4-methyl-N-(pyridin-2-ylmethyl)benzamide
CID 110763244
1-(pyridin-2-ylmethyl)-3-(trifluoromethyl)urea
CID 108865913
N-benzyl-2-methyl-6-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109368374
5-methyl-N-(pyridin-2-ylmethyl)-1,2-oxazole-3-carboxamide
CID 2971561
6-methyl-N-[(2-methylphenyl)methyl]-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109327463
6-(4-methoxy-3,5-dimethylphenyl)-N-(pyridin-2-ylmethyl)imidazo[1,2-a]pyridine-2-carboxamide
CID 42690204
6-(2-tert-butylanilino)-2-methyl-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
CID 109370893

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(pyridin-2-ylmethyl)-6-(2,2,2-trifluoroethoxy)-8-(trifluoromethyl)quinoline-2-carboxamide?
The IUPAC name of 4-methyl-N-(pyridin-2-ylmethyl)-6-(2,2,2-trifluoroethoxy)-8-(trifluoromethyl)quinoline-2-carboxamide (CID 88577776) is 4-methyl-N-(pyridin-2-ylmethyl)-6-(2,2,2-trifluoroethoxy)-8-(trifluoromethyl)quinoline-2-carboxamide.
What is the SMILES notation for 4-methyl-N-(pyridin-2-ylmethyl)-6-(2,2,2-trifluoroethoxy)-8-(trifluoromethyl)quinoline-2-carboxamide?
The canonical SMILES for 4-methyl-N-(pyridin-2-ylmethyl)-6-(2,2,2-trifluoroethoxy)-8-(trifluoromethyl)quinoline-2-carboxamide is Cc1cc(C(=O)NCc2ccccn2)nc2c(C(F)(F)F)cc(OCC(F)(F)F)cc12.
What is the InChIKey of 4-methyl-N-(pyridin-2-ylmethyl)-6-(2,2,2-trifluoroethoxy)-8-(trifluoromethyl)quinoline-2-carboxamide?
The InChIKey is SUVDAQOUWPIFBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F6N3O2/c1-11-6-16(18(30)28-9-12-4-2-3-5-27-12)29-17-14(11)7-13(31-10-19(21,22)23)8-15(17)20(24,25)26/h2-8H,9-10H2,1H3,(H,28,30).
What are the key properties of 4-methyl-N-(pyridin-2-ylmethyl)-6-(2,2,2-trifluoroethoxy)-8-(trifluoromethyl)quinoline-2-carboxamide?
4-methyl-N-(pyridin-2-ylmethyl)-6-(2,2,2-trifluoroethoxy)-8-(trifluoromethyl)quinoline-2-carboxamide has a molecular weight of 443.35 g/mol, XLogP of 4.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(pyridin-2-ylmethyl)-6-(2,2,2-trifluoroethoxy)-8-(trifluoromethyl)quinoline-2-carboxamide is sourced from PubChem (CID 88577776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).