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

C21H14F4N8O — CID 162722035

IUPAC6-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,6-difluorophenyl]methyl]triazol-4-yl]-N-methylquinazolin-2-amine
SMILESCNc1ncc2cc(-c3cn(Cc4c(F)cc(-c5nnc(C(F)F)o5)cc4F)nn3)ccc2n1
InChIInChI=1S/C21H14F4N8O/c1-26-21-27-7-12-4-10(2-3-16(12)28-21)17-9-33(32-29-17)8-13-14(22)5-11(6-15(13)23)19-30-31-20(34-19)18(24)25/h2-7,9,18H,8H2,1H3,(H,26,27,28)
InChIKeySWAHPZSHWQUFKK-UHFFFAOYSA-N
MW470.39 g/mol
LogP4.24
Rot. Bonds6

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

6-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,6-difluorophenyl]methyl]triazol-4-yl]-N-methylquinazolin-2-amine (PubChem CID 162722035) has the molecular formula C21H14F4N8O and a molecular weight of 470.39 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-methylquinazolin-2-amine.

Molecular Properties

Compound Name6-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,6-difluorophenyl]methyl]triazol-4-yl]-N-methylquinazolin-2-amine
PubChem CID162722035
Molecular FormulaC21H14F4N8O
Molecular Weight470.39 g/mol
Exact Mass470.12
IUPAC Name6-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,6-difluorophenyl]methyl]triazol-4-yl]-N-methylquinazolin-2-amine
SMILESCNc1ncc2cc(-c3cn(Cc4c(F)cc(-c5nnc(C(F)F)o5)cc4F)nn3)ccc2n1
InChIInChI=1S/C21H14F4N8O/c1-26-21-27-7-12-4-10(2-3-16(12)28-21)17-9-33(32-29-17)8-13-14(22)5-11(6-15(13)23)19-30-31-20(34-19)18(24)25/h2-7,9,18H,8H2,1H3,(H,26,27,28)
InChIKeySWAHPZSHWQUFKK-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

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

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Related Compounds

Topoisomerase I inhibitor 6
CID 153370123
N-(3-imidazol-1-ylpropyl)-6-(4-methylphenyl)-3-(1,3,4-oxadiazol-2-yl)quinolin-4-amine
CID 153370113
6-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]triazol-4-yl]-1H-benzimidazol-2-amine
CID 162721877
5-(1-(4-(5-(difluoromethyl)-1,3,4-oxadiazol-2-yl)-2,3-difluorobenzyl)-1H-1,2,3-triazol-4-yl)pyridin-2-amine
CID 162721884
7-[1-[[4-[5-(Difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]triazol-4-yl]quinazolin-4-amine
CID 162721888
3-[1-[[4-[5-(Difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]imidazol-4-yl]aniline
CID 162721923
5-[1-[[4-[5-(Difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-fluorophenyl]methyl]triazol-4-yl]-1-methylbenzimidazol-2-amine
CID 162721941
6-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]triazol-4-yl]-N-methylquinolin-2-amine
CID 162722000
5-[1-[1-[4-[5-(Difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-fluorophenyl]ethyl]triazol-4-yl]pyridin-2-amine
CID 162722011
6-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]pyrazol-4-yl]-1H-benzimidazol-2-amine
CID 162722053
6-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,3-difluorophenyl]methyl]tetrazol-5-yl]-N-methylquinolin-2-amine
CID 162722062
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

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-methylquinazolin-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-methylquinazolin-2-amine (CID 162722035) is 6-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,6-difluorophenyl]methyl]triazol-4-yl]-N-methylquinazolin-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-methylquinazolin-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-methylquinazolin-2-amine is CNc1ncc2cc(-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-methylquinazolin-2-amine?
The InChIKey is SWAHPZSHWQUFKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F4N8O/c1-26-21-27-7-12-4-10(2-3-16(12)28-21)17-9-33(32-29-17)8-13-14(22)5-11(6-15(13)23)19-30-31-20(34-19)18(24)25/h2-7,9,18H,8H2,1H3,(H,26,27,28).
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-methylquinazolin-2-amine?
6-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,6-difluorophenyl]methyl]triazol-4-yl]-N-methylquinazolin-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-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,6-difluorophenyl]methyl]triazol-4-yl]-N-methylquinazolin-2-amine is sourced from PubChem (CID 162722035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).