6-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,6-difluorophenyl]methyl]triazol-4-yl]-N,N-dimethylquinolin-2-amine

C23H17F4N7O — CID 162722080

IUPAC6-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,6-difluorophenyl]methyl]triazol-4-yl]-N,N-dimethylquinolin-2-amine
SMILESCN(C)c1ccc2cc(-c3cn(Cc4c(F)cc(-c5nnc(C(F)F)o5)cc4F)nn3)ccc2n1
InChIInChI=1S/C23H17F4N7O/c1-33(2)20-6-4-12-7-13(3-5-18(12)28-20)19-11-34(32-29-19)10-15-16(24)8-14(9-17(15)25)22-30-31-23(35-22)21(26)27/h3-9,11,21H,10H2,1-2H3
InChIKeyUIFGBOTYPBIMRU-UHFFFAOYSA-N
MW483.43 g/mol
LogP4.87
Rot. Bonds6

About 6-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,6-difluorophenyl]methyl]triazol-4-yl]-N,N-dimethylquinolin-2-amine

6-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,6-difluorophenyl]methyl]triazol-4-yl]-N,N-dimethylquinolin-2-amine (PubChem CID 162722080) has the molecular formula C23H17F4N7O and a molecular weight of 483.43 g/mol. Its IUPAC name is 6-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,6-difluorophenyl]methyl]triazol-4-yl]-N,N-dimethylquinolin-2-amine.

Molecular Properties

Compound Name6-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,6-difluorophenyl]methyl]triazol-4-yl]-N,N-dimethylquinolin-2-amine
PubChem CID162722080
Molecular FormulaC23H17F4N7O
Molecular Weight483.43 g/mol
Exact Mass483.14
IUPAC Name6-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,6-difluorophenyl]methyl]triazol-4-yl]-N,N-dimethylquinolin-2-amine
SMILESCN(C)c1ccc2cc(-c3cn(Cc4c(F)cc(-c5nnc(C(F)F)o5)cc4F)nn3)ccc2n1
InChIInChI=1S/C23H17F4N7O/c1-33(2)20-6-4-12-7-13(3-5-18(12)28-20)19-11-34(32-29-19)10-15-16(24)8-14(9-17(15)25)22-30-31-23(35-22)21(26)27/h3-9,11,21H,10H2,1-2H3
InChIKeyUIFGBOTYPBIMRU-UHFFFAOYSA-N
XLogP4.87
TPSA85.76 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.43
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,6-difluorophenyl]methyl]triazol-4-yl]-N,N-dimethylquinolin-2-amine?
The IUPAC name of 6-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,6-difluorophenyl]methyl]triazol-4-yl]-N,N-dimethylquinolin-2-amine (CID 162722080) is 6-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,6-difluorophenyl]methyl]triazol-4-yl]-N,N-dimethylquinolin-2-amine.
What is the SMILES notation for 6-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,6-difluorophenyl]methyl]triazol-4-yl]-N,N-dimethylquinolin-2-amine?
The canonical SMILES for 6-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,6-difluorophenyl]methyl]triazol-4-yl]-N,N-dimethylquinolin-2-amine is CN(C)c1ccc2cc(-c3cn(Cc4c(F)cc(-c5nnc(C(F)F)o5)cc4F)nn3)ccc2n1.
What is the InChIKey of 6-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,6-difluorophenyl]methyl]triazol-4-yl]-N,N-dimethylquinolin-2-amine?
The InChIKey is UIFGBOTYPBIMRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F4N7O/c1-33(2)20-6-4-12-7-13(3-5-18(12)28-20)19-11-34(32-29-19)10-15-16(24)8-14(9-17(15)25)22-30-31-23(35-22)21(26)27/h3-9,11,21H,10H2,1-2H3.
What are the key properties of 6-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,6-difluorophenyl]methyl]triazol-4-yl]-N,N-dimethylquinolin-2-amine?
6-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,6-difluorophenyl]methyl]triazol-4-yl]-N,N-dimethylquinolin-2-amine has a molecular weight of 483.43 g/mol, XLogP of 4.87, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,6-difluorophenyl]methyl]triazol-4-yl]-N,N-dimethylquinolin-2-amine is sourced from PubChem (CID 162722080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).