2-methyl-1-(2H-triazol-4-yl)-1-[6-(2,2,2-trifluoroethoxy)quinolin-2-yl]propan-1-ol

C17H17F3N4O2 — CID 69281296

IUPAC2-methyl-1-(2H-triazol-4-yl)-1-[6-(2,2,2-trifluoroethoxy)quinolin-2-yl]propan-1-ol
SMILESCC(C)C(O)(c1cn[nH]n1)c1ccc2cc(OCC(F)(F)F)ccc2n1
InChIInChI=1S/C17H17F3N4O2/c1-10(2)17(25,15-8-21-24-23-15)14-6-3-11-7-12(4-5-13(11)22-14)26-9-16(18,19)20/h3-8,10,25H,9H2,1-2H3,(H,21,23,24)
InChIKeyKTCVWHLVIFVXLY-UHFFFAOYSA-N
MW366.34 g/mol
LogP3.19
Rot. Bonds5

About 2-methyl-1-(2H-triazol-4-yl)-1-[6-(2,2,2-trifluoroethoxy)quinolin-2-yl]propan-1-ol

2-methyl-1-(2H-triazol-4-yl)-1-[6-(2,2,2-trifluoroethoxy)quinolin-2-yl]propan-1-ol (PubChem CID 69281296) has the molecular formula C17H17F3N4O2 and a molecular weight of 366.34 g/mol. Its IUPAC name is 2-methyl-1-(2H-triazol-4-yl)-1-[6-(2,2,2-trifluoroethoxy)quinolin-2-yl]propan-1-ol.

Molecular Properties

Compound Name2-methyl-1-(2H-triazol-4-yl)-1-[6-(2,2,2-trifluoroethoxy)quinolin-2-yl]propan-1-ol
PubChem CID69281296
Molecular FormulaC17H17F3N4O2
Molecular Weight366.34 g/mol
Exact Mass366.13
IUPAC Name2-methyl-1-(2H-triazol-4-yl)-1-[6-(2,2,2-trifluoroethoxy)quinolin-2-yl]propan-1-ol
SMILESCC(C)C(O)(c1cn[nH]n1)c1ccc2cc(OCC(F)(F)F)ccc2n1
InChIInChI=1S/C17H17F3N4O2/c1-10(2)17(25,15-8-21-24-23-15)14-6-3-11-7-12(4-5-13(11)22-14)26-9-16(18,19)20/h3-8,10,25H,9H2,1-2H3,(H,21,23,24)
InChIKeyKTCVWHLVIFVXLY-UHFFFAOYSA-N
XLogP3.19
TPSA83.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.34
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2H-triazol-4-yl)-1-[6-(2,2,2-trifluoroethoxy)quinolin-2-yl]propan-1-ol?
The IUPAC name of 2-methyl-1-(2H-triazol-4-yl)-1-[6-(2,2,2-trifluoroethoxy)quinolin-2-yl]propan-1-ol (CID 69281296) is 2-methyl-1-(2H-triazol-4-yl)-1-[6-(2,2,2-trifluoroethoxy)quinolin-2-yl]propan-1-ol.
What is the SMILES notation for 2-methyl-1-(2H-triazol-4-yl)-1-[6-(2,2,2-trifluoroethoxy)quinolin-2-yl]propan-1-ol?
The canonical SMILES for 2-methyl-1-(2H-triazol-4-yl)-1-[6-(2,2,2-trifluoroethoxy)quinolin-2-yl]propan-1-ol is CC(C)C(O)(c1cn[nH]n1)c1ccc2cc(OCC(F)(F)F)ccc2n1.
What is the InChIKey of 2-methyl-1-(2H-triazol-4-yl)-1-[6-(2,2,2-trifluoroethoxy)quinolin-2-yl]propan-1-ol?
The InChIKey is KTCVWHLVIFVXLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N4O2/c1-10(2)17(25,15-8-21-24-23-15)14-6-3-11-7-12(4-5-13(11)22-14)26-9-16(18,19)20/h3-8,10,25H,9H2,1-2H3,(H,21,23,24).
What are the key properties of 2-methyl-1-(2H-triazol-4-yl)-1-[6-(2,2,2-trifluoroethoxy)quinolin-2-yl]propan-1-ol?
2-methyl-1-(2H-triazol-4-yl)-1-[6-(2,2,2-trifluoroethoxy)quinolin-2-yl]propan-1-ol has a molecular weight of 366.34 g/mol, XLogP of 3.19, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2H-triazol-4-yl)-1-[6-(2,2,2-trifluoroethoxy)quinolin-2-yl]propan-1-ol is sourced from PubChem (CID 69281296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).