4-oxo-N-(pyridin-2-ylmethyl)-8-(trifluoromethyl)-1H-quinoline-3-carboxamide

C17H12F3N3O2 — CID 42589550

IUPAC4-oxo-N-(pyridin-2-ylmethyl)-8-(trifluoromethyl)-1H-quinoline-3-carboxamide
SMILESO=C(NCc1ccccn1)c1c[nH]c2c(C(F)(F)F)cccc2c1=O
InChIInChI=1S/C17H12F3N3O2/c18-17(19,20)13-6-3-5-11-14(13)22-9-12(15(11)24)16(25)23-8-10-4-1-2-7-21-10/h1-7,9H,8H2,(H,22,24)(H,23,25)
InChIKeyFJSXWBNUNOCHAD-UHFFFAOYSA-N
MW347.30 g/mol
LogP2.87
Rot. Bonds3

About 4-oxo-N-(pyridin-2-ylmethyl)-8-(trifluoromethyl)-1H-quinoline-3-carboxamide

4-oxo-N-(pyridin-2-ylmethyl)-8-(trifluoromethyl)-1H-quinoline-3-carboxamide (PubChem CID 42589550) has the molecular formula C17H12F3N3O2 and a molecular weight of 347.30 g/mol. Its IUPAC name is 4-oxo-N-(pyridin-2-ylmethyl)-8-(trifluoromethyl)-1H-quinoline-3-carboxamide.

Molecular Properties

Compound Name4-oxo-N-(pyridin-2-ylmethyl)-8-(trifluoromethyl)-1H-quinoline-3-carboxamide
PubChem CID42589550
Molecular FormulaC17H12F3N3O2
Molecular Weight347.30 g/mol
Exact Mass347.09
IUPAC Name4-oxo-N-(pyridin-2-ylmethyl)-8-(trifluoromethyl)-1H-quinoline-3-carboxamide
SMILESO=C(NCc1ccccn1)c1c[nH]c2c(C(F)(F)F)cccc2c1=O
InChIInChI=1S/C17H12F3N3O2/c18-17(19,20)13-6-3-5-11-14(13)22-9-12(15(11)24)16(25)23-8-10-4-1-2-7-21-10/h1-7,9H,8H2,(H,22,24)(H,23,25)
InChIKeyFJSXWBNUNOCHAD-UHFFFAOYSA-N
XLogP2.87
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.30
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methoxyphenyl)-4-oxo-8-(trifluoromethyl)-1H-quinoline-3-carboxamide
CID 42589534
4-oxo-N-propyl-N-(1,3-thiazol-2-yl)-8-(trifluoromethyl)-1H-quinoline-3-carboxamide
CID 70463970
N-(1-acetamidopropyl)-4-oxo-N-(1,3-thiazol-2-yl)-8-(trifluoromethyl)-1H-quinoline-3-carboxamide
CID 70462074
N-(pyridin-2-ylmethyl)-6-[2-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 109157801
N-(pyridin-2-ylmethyl)-6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxamide
CID 109120891
2,4-dioxo-3-(pyridin-2-ylmethyl)-N-[2-(trifluoromethyl)phenyl]-1H-pyrimidine-5-carboxamide
CID 121026444
N-(2,4-ditert-butyl-5-hydroxyphenyl)-4-oxo-8-(trifluoromethyl)-1H-quinoline-3-carboxamide
CID 53246411
N-(pyridin-2-ylmethyl)-1-benzothiophene-3-carboxamide
CID 1247032
1-(pyridin-2-ylmethyl)-3-(trifluoromethyl)urea
CID 108865913
1-[7-(trifluoromethyl)-1H-indol-3-yl]ethanone
CID 82391412
2,2,3,3-tetrafluoro-N,N'-bis(pyridin-2-ylmethyl)butanediamide
CID 2164897
2,2,2-trifluoro-N-(pyridin-2-ylmethyl)acetamide
CID 4159002

Frequently Asked Questions

What is the IUPAC name of 4-oxo-N-(pyridin-2-ylmethyl)-8-(trifluoromethyl)-1H-quinoline-3-carboxamide?
The IUPAC name of 4-oxo-N-(pyridin-2-ylmethyl)-8-(trifluoromethyl)-1H-quinoline-3-carboxamide (CID 42589550) is 4-oxo-N-(pyridin-2-ylmethyl)-8-(trifluoromethyl)-1H-quinoline-3-carboxamide.
What is the SMILES notation for 4-oxo-N-(pyridin-2-ylmethyl)-8-(trifluoromethyl)-1H-quinoline-3-carboxamide?
The canonical SMILES for 4-oxo-N-(pyridin-2-ylmethyl)-8-(trifluoromethyl)-1H-quinoline-3-carboxamide is O=C(NCc1ccccn1)c1c[nH]c2c(C(F)(F)F)cccc2c1=O.
What is the InChIKey of 4-oxo-N-(pyridin-2-ylmethyl)-8-(trifluoromethyl)-1H-quinoline-3-carboxamide?
The InChIKey is FJSXWBNUNOCHAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3N3O2/c18-17(19,20)13-6-3-5-11-14(13)22-9-12(15(11)24)16(25)23-8-10-4-1-2-7-21-10/h1-7,9H,8H2,(H,22,24)(H,23,25).
What are the key properties of 4-oxo-N-(pyridin-2-ylmethyl)-8-(trifluoromethyl)-1H-quinoline-3-carboxamide?
4-oxo-N-(pyridin-2-ylmethyl)-8-(trifluoromethyl)-1H-quinoline-3-carboxamide has a molecular weight of 347.30 g/mol, XLogP of 2.87, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-N-(pyridin-2-ylmethyl)-8-(trifluoromethyl)-1H-quinoline-3-carboxamide is sourced from PubChem (CID 42589550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).