1,1,1-trifluoro-2-[1-[(4-phenylquinolin-7-yl)methyl]triazol-4-yl]butan-2-ol

C22H19F3N4O — CID 141217153

IUPAC1,1,1-trifluoro-2-[1-[(4-phenylquinolin-7-yl)methyl]triazol-4-yl]butan-2-ol
SMILESCCC(O)(c1cn(Cc2ccc3c(-c4ccccc4)ccnc3c2)nn1)C(F)(F)F
InChIInChI=1S/C22H19F3N4O/c1-2-21(30,22(23,24)25)20-14-29(28-27-20)13-15-8-9-18-17(10-11-26-19(18)12-15)16-6-4-3-5-7-16/h3-12,14,30H,2,13H2,1H3
InChIKeyJGHANHHXXLSXGV-UHFFFAOYSA-N
MW412.42 g/mol
LogP4.70
Rot. Bonds5

About 1,1,1-trifluoro-2-[1-[(4-phenylquinolin-7-yl)methyl]triazol-4-yl]butan-2-ol

1,1,1-trifluoro-2-[1-[(4-phenylquinolin-7-yl)methyl]triazol-4-yl]butan-2-ol (PubChem CID 141217153) has the molecular formula C22H19F3N4O and a molecular weight of 412.42 g/mol. Its IUPAC name is 1,1,1-trifluoro-2-[1-[(4-phenylquinolin-7-yl)methyl]triazol-4-yl]butan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-2-[1-[(4-phenylquinolin-7-yl)methyl]triazol-4-yl]butan-2-ol
PubChem CID141217153
Molecular FormulaC22H19F3N4O
Molecular Weight412.42 g/mol
Exact Mass412.15
IUPAC Name1,1,1-trifluoro-2-[1-[(4-phenylquinolin-7-yl)methyl]triazol-4-yl]butan-2-ol
SMILESCCC(O)(c1cn(Cc2ccc3c(-c4ccccc4)ccnc3c2)nn1)C(F)(F)F
InChIInChI=1S/C22H19F3N4O/c1-2-21(30,22(23,24)25)20-14-29(28-27-20)13-15-8-9-18-17(10-11-26-19(18)12-15)16-6-4-3-5-7-16/h3-12,14,30H,2,13H2,1H3
InChIKeyJGHANHHXXLSXGV-UHFFFAOYSA-N
XLogP4.70
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.42
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1,1,1-trifluoro-2-[1-[(4-phenylquinolin-7-yl)methyl]triazol-4-yl]butan-2-ol with MolForge

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Related Compounds

Quinoline derivative 4
CID 89554759
6-[(2,6-Dimethylpyridin-3-yl)-hydroxy-(3-methyltriazol-4-yl)methyl]-3-[[4-(trifluoromethyl)phenyl]methyl]quinoline-2,4-dicarbonitrile
CID 117869378
N-(quinolin-4-ylmethyl)-2-(1-(3-(trifluoromethyl)phenyl)-1H-1,2,3-triazol-4-yl)aniline
CID 44156908
4-phenyl-7-[[4-[(2R)-1,1,1-trifluoro-2-hydroxybutan-2-yl]triazol-1-yl]methyl]quinoline-2-carboxamide
CID 156011740
1-[4-(4-fluorophenyl)-7-[[4-[(2R)-1,1,1-trifluoro-2-hydroxybutan-2-yl]triazol-1-yl]methyl]quinolin-2-yl]ethanone
CID 156014599
4-(2-fluorophenyl)-7-[[4-[(2R)-1,1,1-trifluoro-2-hydroxybutan-2-yl]triazol-1-yl]methyl]quinoline-2-carboxamide
CID 156015207
4-(4-fluorophenyl)-7-[[4-[(2R)-1,1,1-trifluoro-2-hydroxybutan-2-yl]triazol-1-yl]methyl]quinoline-2-carboxamide
CID 156015264
4-(4-fluorophenyl)-7-[1-[4-[(2R)-1,1,1-trifluoro-2-hydroxybutan-2-yl]triazol-1-yl]ethyl]quinoline-2-carboxamide
CID 156016312
4-(4-fluorophenyl)-7-[[4-[(2R)-1,1,1-trifluoro-2-hydroxybutan-2-yl]triazol-1-yl]methyl]quinoline-2-carbonitrile
CID 156017399
4-(3-fluorophenyl)-7-[[4-[(2R)-1,1,1-trifluoro-2-hydroxybutan-2-yl]triazol-1-yl]methyl]quinoline-2-carboxamide
CID 156017916
US9663506, Example 3-15
CID 25057930
4-(6-fluoropyridin-3-yl)-7-[[4-[(2R)-1,1,1-trifluoro-2-hydroxybutan-2-yl]triazol-1-yl]methyl]quinoline-2-carboxamide
CID 89554907

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-2-[1-[(4-phenylquinolin-7-yl)methyl]triazol-4-yl]butan-2-ol?
The IUPAC name of 1,1,1-trifluoro-2-[1-[(4-phenylquinolin-7-yl)methyl]triazol-4-yl]butan-2-ol (CID 141217153) is 1,1,1-trifluoro-2-[1-[(4-phenylquinolin-7-yl)methyl]triazol-4-yl]butan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-2-[1-[(4-phenylquinolin-7-yl)methyl]triazol-4-yl]butan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-2-[1-[(4-phenylquinolin-7-yl)methyl]triazol-4-yl]butan-2-ol is CCC(O)(c1cn(Cc2ccc3c(-c4ccccc4)ccnc3c2)nn1)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-2-[1-[(4-phenylquinolin-7-yl)methyl]triazol-4-yl]butan-2-ol?
The InChIKey is JGHANHHXXLSXGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F3N4O/c1-2-21(30,22(23,24)25)20-14-29(28-27-20)13-15-8-9-18-17(10-11-26-19(18)12-15)16-6-4-3-5-7-16/h3-12,14,30H,2,13H2,1H3.
What are the key properties of 1,1,1-trifluoro-2-[1-[(4-phenylquinolin-7-yl)methyl]triazol-4-yl]butan-2-ol?
1,1,1-trifluoro-2-[1-[(4-phenylquinolin-7-yl)methyl]triazol-4-yl]butan-2-ol has a molecular weight of 412.42 g/mol, XLogP of 4.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-2-[1-[(4-phenylquinolin-7-yl)methyl]triazol-4-yl]butan-2-ol is sourced from PubChem (CID 141217153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).