4-[4-phenyl-2-[6-(trifluoromethyl)-3-pyridinyl]pyrimidin-5-yl]quinoline

C25H15F3N4 — CID 4126931

IUPAC4-[4-phenyl-2-[6-(trifluoromethyl)-3-pyridinyl]pyrimidin-5-yl]quinoline
SMILESFC(F)(F)c1ccc(-c2ncc(-c3ccnc4ccccc34)c(-c3ccccc3)n2)cn1
InChIInChI=1S/C25H15F3N4/c26-25(27,28)22-11-10-17(14-30-22)24-31-15-20(23(32-24)16-6-2-1-3-7-16)18-12-13-29-21-9-5-4-8-19(18)21/h1-15H
InChIKeyDKONOLCVCRKZPK-UHFFFAOYSA-N
MW428.42 g/mol
LogP6.44
Rot. Bonds3

About 4-[4-phenyl-2-[6-(trifluoromethyl)-3-pyridinyl]pyrimidin-5-yl]quinoline

4-[4-phenyl-2-[6-(trifluoromethyl)-3-pyridinyl]pyrimidin-5-yl]quinoline (PubChem CID 4126931) has the molecular formula C25H15F3N4 and a molecular weight of 428.42 g/mol. Its IUPAC name is 4-[4-phenyl-2-[6-(trifluoromethyl)-3-pyridinyl]pyrimidin-5-yl]quinoline.

Molecular Properties

Compound Name4-[4-phenyl-2-[6-(trifluoromethyl)-3-pyridinyl]pyrimidin-5-yl]quinoline
PubChem CID4126931
Molecular FormulaC25H15F3N4
Molecular Weight428.42 g/mol
Exact Mass428.12
IUPAC Name4-[4-phenyl-2-[6-(trifluoromethyl)-3-pyridinyl]pyrimidin-5-yl]quinoline
SMILESFC(F)(F)c1ccc(-c2ncc(-c3ccnc4ccccc34)c(-c3ccccc3)n2)cn1
InChIInChI=1S/C25H15F3N4/c26-25(27,28)22-11-10-17(14-30-22)24-31-15-20(23(32-24)16-6-2-1-3-7-16)18-12-13-29-21-9-5-4-8-19(18)21/h1-15H
InChIKeyDKONOLCVCRKZPK-UHFFFAOYSA-N
XLogP6.44
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.42
LogP ≤ 56.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-phenyl-4-[6-(trifluoromethyl)-3-pyridinyl]pyrimidin-5-yl]quinoline
CID 3525812
4-(5,6-dimethylidene-3-phenylpyrazin-2-yl)quinoline
CID 123156148
4-(3-fluorophenyl)quinoline
CID 141309372
5-methylsulfonyl-4-[2-(trifluoromethyl)phenyl]-2-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine
CID 3314010
4-[4-(2,4-diphenylpyrimidin-5-yl)phenyl]-2-naphthalen-1-ylquinazoline
CID 163860497
2-(2-phenyl-4-pyridinyl)-4-(trifluoromethyl)-6-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine
CID 141215419
4-naphthalen-2-ylquinoline
CID 14173372
perchloric acid;2,4,5-triphenylpyrimidine
CID 159862899
2-[6-(trifluoromethyl)-3-pyridinyl]phenol
CID 142726481
6-[6-(trifluoromethyl)-3-pyridinyl]quinoline
CID 175877978
4-[3-(4,6-diphenylpyrimidin-2-yl)-5-quinolin-4-ylphenyl]quinoline
CID 118582443
4-pyrimidin-2-ylquinoline
CID 123157198

Frequently Asked Questions

What is the IUPAC name of 4-[4-phenyl-2-[6-(trifluoromethyl)-3-pyridinyl]pyrimidin-5-yl]quinoline?
The IUPAC name of 4-[4-phenyl-2-[6-(trifluoromethyl)-3-pyridinyl]pyrimidin-5-yl]quinoline (CID 4126931) is 4-[4-phenyl-2-[6-(trifluoromethyl)-3-pyridinyl]pyrimidin-5-yl]quinoline.
What is the SMILES notation for 4-[4-phenyl-2-[6-(trifluoromethyl)-3-pyridinyl]pyrimidin-5-yl]quinoline?
The canonical SMILES for 4-[4-phenyl-2-[6-(trifluoromethyl)-3-pyridinyl]pyrimidin-5-yl]quinoline is FC(F)(F)c1ccc(-c2ncc(-c3ccnc4ccccc34)c(-c3ccccc3)n2)cn1.
What is the InChIKey of 4-[4-phenyl-2-[6-(trifluoromethyl)-3-pyridinyl]pyrimidin-5-yl]quinoline?
The InChIKey is DKONOLCVCRKZPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H15F3N4/c26-25(27,28)22-11-10-17(14-30-22)24-31-15-20(23(32-24)16-6-2-1-3-7-16)18-12-13-29-21-9-5-4-8-19(18)21/h1-15H.
What are the key properties of 4-[4-phenyl-2-[6-(trifluoromethyl)-3-pyridinyl]pyrimidin-5-yl]quinoline?
4-[4-phenyl-2-[6-(trifluoromethyl)-3-pyridinyl]pyrimidin-5-yl]quinoline has a molecular weight of 428.42 g/mol, XLogP of 6.44, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-phenyl-2-[6-(trifluoromethyl)-3-pyridinyl]pyrimidin-5-yl]quinoline is sourced from PubChem (CID 4126931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).