3-[4-phenyl-5-(2,2,2-trifluoroethyl)triazol-1-yl]quinoline

C19H13F3N4 — CID 134843933

IUPAC3-[4-phenyl-5-(2,2,2-trifluoroethyl)triazol-1-yl]quinoline
SMILESFC(F)(F)Cc1c(-c2ccccc2)nnn1-c1cnc2ccccc2c1
InChIInChI=1S/C19H13F3N4/c20-19(21,22)11-17-18(13-6-2-1-3-7-13)24-25-26(17)15-10-14-8-4-5-9-16(14)23-12-15/h1-10,12H,11H2
InChIKeyNAXRDOPLPYZJLR-UHFFFAOYSA-N
MW354.34 g/mol
LogP4.59
Rot. Bonds3

About 3-[4-phenyl-5-(2,2,2-trifluoroethyl)triazol-1-yl]quinoline

3-[4-phenyl-5-(2,2,2-trifluoroethyl)triazol-1-yl]quinoline (PubChem CID 134843933) has the molecular formula C19H13F3N4 and a molecular weight of 354.34 g/mol. Its IUPAC name is 3-[4-phenyl-5-(2,2,2-trifluoroethyl)triazol-1-yl]quinoline.

Molecular Properties

Compound Name3-[4-phenyl-5-(2,2,2-trifluoroethyl)triazol-1-yl]quinoline
PubChem CID134843933
Molecular FormulaC19H13F3N4
Molecular Weight354.34 g/mol
Exact Mass354.11
IUPAC Name3-[4-phenyl-5-(2,2,2-trifluoroethyl)triazol-1-yl]quinoline
SMILESFC(F)(F)Cc1c(-c2ccccc2)nnn1-c1cnc2ccccc2c1
InChIInChI=1S/C19H13F3N4/c20-19(21,22)11-17-18(13-6-2-1-3-7-13)24-25-26(17)15-10-14-8-4-5-9-16(14)23-12-15/h1-10,12H,11H2
InChIKeyNAXRDOPLPYZJLR-UHFFFAOYSA-N
XLogP4.59
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.34
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-Aminoquinoline
CID 11375
Quinolinium, 1-(phenylmethyl)-, chloride (1:1)
CID 85025
6-[1-(2-Fluoropyridin-3-yl)-5-methyltriazol-4-yl]quinoline
CID 11301185
3-((E)-Styryl)-quinoline
CID 10243001
2-(2-Pyridinyl)quinoline
CID 609911
2-Phenyl-2H-pyrazolo[4,3-c]quinoline
CID 11470612
3-[2-Fluoro-5-(trifluoromethyl)phenyl]-1-(pyrazin-2-ylmethyl)indazole
CID 73504556
3-[2-Fluoro-5-(trifluoromethyl)phenyl]-7-methyl-1-(pyrazin-2-ylmethyl)indazole
CID 73504557
2-(1-(2,4-difluorophenyl)-5-methyl-1H-1,2,3-triazol-4-yl)-6-(2-((R)-2-methylpyrrolidin-1-yl)ethyl)quinoline
CID 11676399
(R)-6-(2-(2-methylpyrrolidin-1-yl)ethyl)-2-(pyrazin-2-yl)quinoline
CID 46890476
2-(4-Pyridinyl)quinoline
CID 1481979
2-[(E)-2-pyridin-3-ylethenyl]quinoline
CID 5376707

Frequently Asked Questions

What is the IUPAC name of 3-[4-phenyl-5-(2,2,2-trifluoroethyl)triazol-1-yl]quinoline?
The IUPAC name of 3-[4-phenyl-5-(2,2,2-trifluoroethyl)triazol-1-yl]quinoline (CID 134843933) is 3-[4-phenyl-5-(2,2,2-trifluoroethyl)triazol-1-yl]quinoline.
What is the SMILES notation for 3-[4-phenyl-5-(2,2,2-trifluoroethyl)triazol-1-yl]quinoline?
The canonical SMILES for 3-[4-phenyl-5-(2,2,2-trifluoroethyl)triazol-1-yl]quinoline is FC(F)(F)Cc1c(-c2ccccc2)nnn1-c1cnc2ccccc2c1.
What is the InChIKey of 3-[4-phenyl-5-(2,2,2-trifluoroethyl)triazol-1-yl]quinoline?
The InChIKey is NAXRDOPLPYZJLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F3N4/c20-19(21,22)11-17-18(13-6-2-1-3-7-13)24-25-26(17)15-10-14-8-4-5-9-16(14)23-12-15/h1-10,12H,11H2.
What are the key properties of 3-[4-phenyl-5-(2,2,2-trifluoroethyl)triazol-1-yl]quinoline?
3-[4-phenyl-5-(2,2,2-trifluoroethyl)triazol-1-yl]quinoline has a molecular weight of 354.34 g/mol, XLogP of 4.59, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-phenyl-5-(2,2,2-trifluoroethyl)triazol-1-yl]quinoline is sourced from PubChem (CID 134843933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).