2-phenyl-N-pyridin-2-yl-3-(trifluoromethyl)quinoline-8-carboxamide

C22H14F3N3O — CID 58154708

IUPAC2-phenyl-N-pyridin-2-yl-3-(trifluoromethyl)quinoline-8-carboxamide
SMILESO=C(Nc1ccccn1)c1cccc2cc(C(F)(F)F)c(-c3ccccc3)nc12
InChIInChI=1S/C22H14F3N3O/c23-22(24,25)17-13-15-9-6-10-16(21(29)27-18-11-4-5-12-26-18)19(15)28-20(17)14-7-2-1-3-8-14/h1-13H,(H,26,27,29)
InChIKeyIPFKLJROPLRZDR-UHFFFAOYSA-N
MW393.37 g/mol
LogP5.57
Rot. Bonds3

About 2-phenyl-N-pyridin-2-yl-3-(trifluoromethyl)quinoline-8-carboxamide

2-phenyl-N-pyridin-2-yl-3-(trifluoromethyl)quinoline-8-carboxamide (PubChem CID 58154708) has the molecular formula C22H14F3N3O and a molecular weight of 393.37 g/mol. Its IUPAC name is 2-phenyl-N-pyridin-2-yl-3-(trifluoromethyl)quinoline-8-carboxamide.

Molecular Properties

Compound Name2-phenyl-N-pyridin-2-yl-3-(trifluoromethyl)quinoline-8-carboxamide
PubChem CID58154708
Molecular FormulaC22H14F3N3O
Molecular Weight393.37 g/mol
Exact Mass393.11
IUPAC Name2-phenyl-N-pyridin-2-yl-3-(trifluoromethyl)quinoline-8-carboxamide
SMILESO=C(Nc1ccccn1)c1cccc2cc(C(F)(F)F)c(-c3ccccc3)nc12
InChIInChI=1S/C22H14F3N3O/c23-22(24,25)17-13-15-9-6-10-16(21(29)27-18-11-4-5-12-26-18)19(15)28-20(17)14-7-2-1-3-8-14/h1-13H,(H,26,27,29)
InChIKeyIPFKLJROPLRZDR-UHFFFAOYSA-N
XLogP5.57
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.37
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-pyridin-2-yl-3-(trifluoromethyl)quinoline-8-carboxamide
CID 87189922
3-[3-(1,1-difluoroethyl)phenyl]-N-pyridin-2-ylquinoxaline-5-carboxamide
CID 161355859
2-chloro-N-(1,3-thiazol-2-yl)-3-(trifluoromethyl)quinoline-8-carboxamide
CID 87189840
N-(2-phenylpyrimidin-4-yl)-2-(trifluoromethyl)benzamide
CID 71848765
N-pyridin-2-yl-3-[3-(trifluoromethoxy)phenyl]quinoxaline-5-carboxamide
CID 58154775
N'-pyridin-2-yl-2-(trifluoromethyl)benzohydrazide
CID 175943084
2,3-diphenyl-N-pyridin-2-ylquinoxaline-6-carboxamide
CID 1034248
N-pyridin-2-yl-2-[5-pyrrolidin-1-yl-2-(trifluoromethyl)phenyl]-1H-benzimidazole-4-carboxamide
CID 58279014
N-pyridin-2-yl-2-[2-(trifluoromethyl)phenyl]-3H-indole-7-carboxamide
CID 58279245
2-[4-(2,3-dihydroxypropoxy)-2-(trifluoromethyl)phenyl]-N-pyridin-2-yl-1H-benzimidazole-4-carboxamide
CID 58279059
5-phenyl-N-pyridin-2-ylpyridine-2-carboxamide
CID 110683613
5-phenyl-N-pyridin-2-yl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 45157761

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-pyridin-2-yl-3-(trifluoromethyl)quinoline-8-carboxamide?
The IUPAC name of 2-phenyl-N-pyridin-2-yl-3-(trifluoromethyl)quinoline-8-carboxamide (CID 58154708) is 2-phenyl-N-pyridin-2-yl-3-(trifluoromethyl)quinoline-8-carboxamide.
What is the SMILES notation for 2-phenyl-N-pyridin-2-yl-3-(trifluoromethyl)quinoline-8-carboxamide?
The canonical SMILES for 2-phenyl-N-pyridin-2-yl-3-(trifluoromethyl)quinoline-8-carboxamide is O=C(Nc1ccccn1)c1cccc2cc(C(F)(F)F)c(-c3ccccc3)nc12.
What is the InChIKey of 2-phenyl-N-pyridin-2-yl-3-(trifluoromethyl)quinoline-8-carboxamide?
The InChIKey is IPFKLJROPLRZDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14F3N3O/c23-22(24,25)17-13-15-9-6-10-16(21(29)27-18-11-4-5-12-26-18)19(15)28-20(17)14-7-2-1-3-8-14/h1-13H,(H,26,27,29).
What are the key properties of 2-phenyl-N-pyridin-2-yl-3-(trifluoromethyl)quinoline-8-carboxamide?
2-phenyl-N-pyridin-2-yl-3-(trifluoromethyl)quinoline-8-carboxamide has a molecular weight of 393.37 g/mol, XLogP of 5.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-pyridin-2-yl-3-(trifluoromethyl)quinoline-8-carboxamide is sourced from PubChem (CID 58154708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).