2-(2-pyridin-2-ylphenyl)-N-quinolin-8-yl-5-(trifluoromethyl)benzamide

C28H18F3N3O — CID 132546156

IUPAC2-(2-pyridin-2-ylphenyl)-N-quinolin-8-yl-5-(trifluoromethyl)benzamide
SMILESO=C(Nc1cccc2cccnc12)c1cc(C(F)(F)F)ccc1-c1ccccc1-c1ccccn1
InChIInChI=1S/C28H18F3N3O/c29-28(30,31)19-13-14-21(20-9-1-2-10-22(20)24-11-3-4-15-32-24)23(17-19)27(35)34-25-12-5-7-18-8-6-16-33-26(18)25/h1-17H,(H,34,35)
InChIKeyUPFUBWCBMWAAGV-UHFFFAOYSA-N
MW469.47 g/mol
LogP7.23
Rot. Bonds4

About 2-(2-pyridin-2-ylphenyl)-N-quinolin-8-yl-5-(trifluoromethyl)benzamide

2-(2-pyridin-2-ylphenyl)-N-quinolin-8-yl-5-(trifluoromethyl)benzamide (PubChem CID 132546156) has the molecular formula C28H18F3N3O and a molecular weight of 469.47 g/mol. Its IUPAC name is 2-(2-pyridin-2-ylphenyl)-N-quinolin-8-yl-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-(2-pyridin-2-ylphenyl)-N-quinolin-8-yl-5-(trifluoromethyl)benzamide
PubChem CID132546156
Molecular FormulaC28H18F3N3O
Molecular Weight469.47 g/mol
Exact Mass469.14
IUPAC Name2-(2-pyridin-2-ylphenyl)-N-quinolin-8-yl-5-(trifluoromethyl)benzamide
SMILESO=C(Nc1cccc2cccnc12)c1cc(C(F)(F)F)ccc1-c1ccccc1-c1ccccn1
InChIInChI=1S/C28H18F3N3O/c29-28(30,31)19-13-14-21(20-9-1-2-10-22(20)24-11-3-4-15-32-24)23(17-19)27(35)34-25-12-5-7-18-8-6-16-33-26(18)25/h1-17H,(H,34,35)
InChIKeyUPFUBWCBMWAAGV-UHFFFAOYSA-N
XLogP7.23
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.47
LogP ≤ 57.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-2-(2-pyridin-2-ylphenyl)-N-quinolin-8-ylbenzamide
CID 132546150
2-anilino-N-quinolin-8-yl-5-(trifluoromethyl)benzamide
CID 134849172
2-butyl-N-quinolin-8-yl-5-(trifluoromethyl)benzamide
CID 71657963
5-chloro-2-fluoro-N-quinolin-8-ylbenzamide
CID 17416993
N'-quinolin-8-yl-N-[3-(trifluoromethyl)phenyl]propanediamide
CID 108956077
2-(aminomethyl)-N-quinolin-8-ylbenzamide
CID 82546402
2-amino-3-fluoro-N-quinolin-8-ylpyridine-4-carboxamide
CID 105384038
4-fluoro-2-hydroxy-N-quinolin-8-ylbenzamide
CID 46846864
2-bromo-N-(2-bromo-3-pyridinyl)-5-(trifluoromethyl)benzamide
CID 103819418
2-fluoro-N-(5-pyridin-2-yl-1H-pyrazol-4-yl)-5-(trifluoromethyl)benzamide
CID 138989555
2-chloro-N-quinolin-8-ylfuran-3-carboxamide
CID 106685180
3-fluoro-2-hydroxy-N-quinolin-8-ylbenzamide
CID 46846762

Frequently Asked Questions

What is the IUPAC name of 2-(2-pyridin-2-ylphenyl)-N-quinolin-8-yl-5-(trifluoromethyl)benzamide?
The IUPAC name of 2-(2-pyridin-2-ylphenyl)-N-quinolin-8-yl-5-(trifluoromethyl)benzamide (CID 132546156) is 2-(2-pyridin-2-ylphenyl)-N-quinolin-8-yl-5-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-(2-pyridin-2-ylphenyl)-N-quinolin-8-yl-5-(trifluoromethyl)benzamide?
The canonical SMILES for 2-(2-pyridin-2-ylphenyl)-N-quinolin-8-yl-5-(trifluoromethyl)benzamide is O=C(Nc1cccc2cccnc12)c1cc(C(F)(F)F)ccc1-c1ccccc1-c1ccccn1.
What is the InChIKey of 2-(2-pyridin-2-ylphenyl)-N-quinolin-8-yl-5-(trifluoromethyl)benzamide?
The InChIKey is UPFUBWCBMWAAGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H18F3N3O/c29-28(30,31)19-13-14-21(20-9-1-2-10-22(20)24-11-3-4-15-32-24)23(17-19)27(35)34-25-12-5-7-18-8-6-16-33-26(18)25/h1-17H,(H,34,35).
What are the key properties of 2-(2-pyridin-2-ylphenyl)-N-quinolin-8-yl-5-(trifluoromethyl)benzamide?
2-(2-pyridin-2-ylphenyl)-N-quinolin-8-yl-5-(trifluoromethyl)benzamide has a molecular weight of 469.47 g/mol, XLogP of 7.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-pyridin-2-ylphenyl)-N-quinolin-8-yl-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 132546156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).