4-amino-6-(cyclopenten-1-yl)-N-(pyridin-2-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide

C22H19F3N4O — CID 70649616

IUPAC4-amino-6-(cyclopenten-1-yl)-N-(pyridin-2-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide
SMILESNc1cc(C(=O)NCc2ccccn2)nc2c(C(F)(F)F)cc(C3=CCCC3)cc12
InChIInChI=1S/C22H19F3N4O/c23-22(24,25)17-10-14(13-5-1-2-6-13)9-16-18(26)11-19(29-20(16)17)21(30)28-12-15-7-3-4-8-27-15/h3-5,7-11H,1-2,6,12H2,(H2,26,29)(H,28,30)
InChIKeyGKWHUCJCKHRUEE-UHFFFAOYSA-N
MW412.42 g/mol
LogP4.73
Rot. Bonds4

About 4-amino-6-(cyclopenten-1-yl)-N-(pyridin-2-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide

4-amino-6-(cyclopenten-1-yl)-N-(pyridin-2-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide (PubChem CID 70649616) has the molecular formula C22H19F3N4O and a molecular weight of 412.42 g/mol. Its IUPAC name is 4-amino-6-(cyclopenten-1-yl)-N-(pyridin-2-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide.

Molecular Properties

Compound Name4-amino-6-(cyclopenten-1-yl)-N-(pyridin-2-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide
PubChem CID70649616
Molecular FormulaC22H19F3N4O
Molecular Weight412.42 g/mol
Exact Mass412.15
IUPAC Name4-amino-6-(cyclopenten-1-yl)-N-(pyridin-2-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide
SMILESNc1cc(C(=O)NCc2ccccn2)nc2c(C(F)(F)F)cc(C3=CCCC3)cc12
InChIInChI=1S/C22H19F3N4O/c23-22(24,25)17-10-14(13-5-1-2-6-13)9-16-18(26)11-19(29-20(16)17)21(30)28-12-15-7-3-4-8-27-15/h3-5,7-11H,1-2,6,12H2,(H2,26,29)(H,28,30)
InChIKeyGKWHUCJCKHRUEE-UHFFFAOYSA-N
XLogP4.73
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.42
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-N-(pyridin-2-ylmethyl)-6-(2,2,2-trifluoroethoxy)-8-(trifluoromethyl)quinoline-2-carboxamide
CID 88577776
6-[butyl(methyl)amino]-4-methyl-N-(pyridin-2-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide
CID 54759471
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
1-(pyridin-2-ylmethyl)-3-(trifluoromethyl)urea
CID 108865913
4-amino-3-fluoro-N-(pyridin-2-ylmethyl)benzamide
CID 62678700
2-amino-5-fluoro-N-(pyridin-2-ylmethyl)benzamide
CID 43132619
2-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 24512523
4-oxo-N-(pyridin-2-ylmethyl)-8-(trifluoromethyl)-1H-quinoline-3-carboxamide
CID 42589550
2-amino-6-(2-ethylphenyl)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
CID 44520953
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
2-(2-amino-5-hydroxyphenyl)-N-(pyridin-2-ylmethyl)acetamide
CID 69335780

Frequently Asked Questions

What is the IUPAC name of 4-amino-6-(cyclopenten-1-yl)-N-(pyridin-2-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide?
The IUPAC name of 4-amino-6-(cyclopenten-1-yl)-N-(pyridin-2-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide (CID 70649616) is 4-amino-6-(cyclopenten-1-yl)-N-(pyridin-2-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide.
What is the SMILES notation for 4-amino-6-(cyclopenten-1-yl)-N-(pyridin-2-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide?
The canonical SMILES for 4-amino-6-(cyclopenten-1-yl)-N-(pyridin-2-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide is Nc1cc(C(=O)NCc2ccccn2)nc2c(C(F)(F)F)cc(C3=CCCC3)cc12.
What is the InChIKey of 4-amino-6-(cyclopenten-1-yl)-N-(pyridin-2-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide?
The InChIKey is GKWHUCJCKHRUEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F3N4O/c23-22(24,25)17-10-14(13-5-1-2-6-13)9-16-18(26)11-19(29-20(16)17)21(30)28-12-15-7-3-4-8-27-15/h3-5,7-11H,1-2,6,12H2,(H2,26,29)(H,28,30).
What are the key properties of 4-amino-6-(cyclopenten-1-yl)-N-(pyridin-2-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide?
4-amino-6-(cyclopenten-1-yl)-N-(pyridin-2-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide has a molecular weight of 412.42 g/mol, XLogP of 4.73, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-(cyclopenten-1-yl)-N-(pyridin-2-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide is sourced from PubChem (CID 70649616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).