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

C21H14F4N8O — CID 162722107

IUPAC6-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,5-difluorophenyl]methyl]tetrazol-5-yl]-N-methylquinolin-2-amine
SMILESCNc1ccc2cc(-c3nnn(Cc4cc(F)c(-c5nnc(C(F)F)o5)cc4F)n3)ccc2n1
InChIInChI=1S/C21H14F4N8O/c1-26-17-5-3-10-6-11(2-4-16(10)27-17)19-28-32-33(31-19)9-12-7-15(23)13(8-14(12)22)20-29-30-21(34-20)18(24)25/h2-8,18H,9H2,1H3,(H,26,27)
InChIKeyXHIATGREMXNTJP-UHFFFAOYSA-N
MW470.39 g/mol
LogP4.24
Rot. Bonds6

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

6-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,5-difluorophenyl]methyl]tetrazol-5-yl]-N-methylquinolin-2-amine (PubChem CID 162722107) has the molecular formula C21H14F4N8O and a molecular weight of 470.39 g/mol. Its IUPAC name is 6-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,5-difluorophenyl]methyl]tetrazol-5-yl]-N-methylquinolin-2-amine.

Molecular Properties

Compound Name6-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,5-difluorophenyl]methyl]tetrazol-5-yl]-N-methylquinolin-2-amine
PubChem CID162722107
Molecular FormulaC21H14F4N8O
Molecular Weight470.39 g/mol
Exact Mass470.12
IUPAC Name6-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,5-difluorophenyl]methyl]tetrazol-5-yl]-N-methylquinolin-2-amine
SMILESCNc1ccc2cc(-c3nnn(Cc4cc(F)c(-c5nnc(C(F)F)o5)cc4F)n3)ccc2n1
InChIInChI=1S/C21H14F4N8O/c1-26-17-5-3-10-6-11(2-4-16(10)27-17)19-28-32-33(31-19)9-12-7-15(23)13(8-14(12)22)20-29-30-21(34-20)18(24)25/h2-8,18H,9H2,1H3,(H,26,27)
InChIKeyXHIATGREMXNTJP-UHFFFAOYSA-N
XLogP4.24
TPSA107.44 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.39
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,5-difluorophenyl]methyl]tetrazol-5-yl]-N-methylquinolin-2-amine?
The IUPAC name of 6-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,5-difluorophenyl]methyl]tetrazol-5-yl]-N-methylquinolin-2-amine (CID 162722107) is 6-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,5-difluorophenyl]methyl]tetrazol-5-yl]-N-methylquinolin-2-amine.
What is the SMILES notation for 6-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,5-difluorophenyl]methyl]tetrazol-5-yl]-N-methylquinolin-2-amine?
The canonical SMILES for 6-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,5-difluorophenyl]methyl]tetrazol-5-yl]-N-methylquinolin-2-amine is CNc1ccc2cc(-c3nnn(Cc4cc(F)c(-c5nnc(C(F)F)o5)cc4F)n3)ccc2n1.
What is the InChIKey of 6-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,5-difluorophenyl]methyl]tetrazol-5-yl]-N-methylquinolin-2-amine?
The InChIKey is XHIATGREMXNTJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F4N8O/c1-26-17-5-3-10-6-11(2-4-16(10)27-17)19-28-32-33(31-19)9-12-7-15(23)13(8-14(12)22)20-29-30-21(34-20)18(24)25/h2-8,18H,9H2,1H3,(H,26,27).
What are the key properties of 6-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,5-difluorophenyl]methyl]tetrazol-5-yl]-N-methylquinolin-2-amine?
6-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,5-difluorophenyl]methyl]tetrazol-5-yl]-N-methylquinolin-2-amine has a molecular weight of 470.39 g/mol, XLogP of 4.24, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,5-difluorophenyl]methyl]tetrazol-5-yl]-N-methylquinolin-2-amine is sourced from PubChem (CID 162722107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).