6-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]tetrazol-5-yl]quinolin-3-amine

C20H13F3N8O — CID 169049723

IUPAC6-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]tetrazol-5-yl]quinolin-3-amine
SMILESNc1cnc2ccc(-c3nnnn3Cc3ccc(-c4nnc(C(F)F)o4)cc3F)cc2c1
InChIInChI=1S/C20H13F3N8O/c21-15-7-11(19-27-28-20(32-19)17(22)23)1-2-12(15)9-31-18(26-29-30-31)10-3-4-16-13(5-10)6-14(24)8-25-16/h1-8,17H,9,24H2
InChIKeyQUGHEMCIBWPQTQ-UHFFFAOYSA-N
MW438.37 g/mol
LogP3.65
Rot. Bonds5

About 6-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]tetrazol-5-yl]quinolin-3-amine

6-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]tetrazol-5-yl]quinolin-3-amine (PubChem CID 169049723) has the molecular formula C20H13F3N8O and a molecular weight of 438.37 g/mol. Its IUPAC name is 6-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]tetrazol-5-yl]quinolin-3-amine.

Molecular Properties

Compound Name6-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]tetrazol-5-yl]quinolin-3-amine
PubChem CID169049723
Molecular FormulaC20H13F3N8O
Molecular Weight438.37 g/mol
Exact Mass438.12
IUPAC Name6-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]tetrazol-5-yl]quinolin-3-amine
SMILESNc1cnc2ccc(-c3nnnn3Cc3ccc(-c4nnc(C(F)F)o4)cc3F)cc2c1
InChIInChI=1S/C20H13F3N8O/c21-15-7-11(19-27-28-20(32-19)17(22)23)1-2-12(15)9-31-18(26-29-30-31)10-3-4-16-13(5-10)6-14(24)8-25-16/h1-8,17H,9,24H2
InChIKeyQUGHEMCIBWPQTQ-UHFFFAOYSA-N
XLogP3.65
TPSA121.43 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.37
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 6-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]tetrazol-5-yl]quinolin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]triazol-4-yl]pyridin-2-amine
CID 162722077
2-(difluoromethyl)-5-[3-fluoro-4-[[4-(3-methylphenyl)triazol-1-yl]methyl]phenyl]-1,3,4-oxadiazole
CID 170102368
2-[4-[[4-(5-bromo-3-pyridinyl)triazol-1-yl]methyl]-3-fluorophenyl]-5-(difluoromethyl)-1,3,4-oxadiazole
CID 162443169
2-[4-[bromo(dideuterio)methyl]-3-fluorophenyl]-5-(difluoromethyl)-1,3,4-oxadiazole
CID 169049732
2-(difluoromethyl)-5-[3-fluoro-4-[[4-(1,3-thiazol-2-yl)triazol-1-yl]methyl]phenyl]-1,3,4-oxadiazole
CID 162443207
3-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]triazol-4-yl]oxetan-3-ol
CID 162443480
2-(difluoromethyl)-5-(3-fluoro-4-methylphenyl)-1,3,4-oxadiazole
CID 126507083
N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-N-phenylhydroxylamine
CID 126545799
6-[1-[[2-chloro-4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]triazol-4-yl]isoquinolin-3-amine
CID 162722785
2-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]triazol-4-yl]-1-methylthiirene-1-carbonitrile
CID 162443571
2-(difluoromethyl)-5-[4-[[5-(3-pyrazol-1-ylphenyl)tetrazol-1-yl]methyl]phenyl]-1,3,4-oxadiazole
CID 162722540
5-[1-[(2-fluorophenyl)methyl]tetrazol-5-yl]benzene-1,3-diamine
CID 61378704

Frequently Asked Questions

What is the IUPAC name of 6-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]tetrazol-5-yl]quinolin-3-amine?
The IUPAC name of 6-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]tetrazol-5-yl]quinolin-3-amine (CID 169049723) is 6-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]tetrazol-5-yl]quinolin-3-amine.
What is the SMILES notation for 6-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]tetrazol-5-yl]quinolin-3-amine?
The canonical SMILES for 6-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]tetrazol-5-yl]quinolin-3-amine is Nc1cnc2ccc(-c3nnnn3Cc3ccc(-c4nnc(C(F)F)o4)cc3F)cc2c1.
What is the InChIKey of 6-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]tetrazol-5-yl]quinolin-3-amine?
The InChIKey is QUGHEMCIBWPQTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F3N8O/c21-15-7-11(19-27-28-20(32-19)17(22)23)1-2-12(15)9-31-18(26-29-30-31)10-3-4-16-13(5-10)6-14(24)8-25-16/h1-8,17H,9,24H2.
What are the key properties of 6-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]tetrazol-5-yl]quinolin-3-amine?
6-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]tetrazol-5-yl]quinolin-3-amine has a molecular weight of 438.37 g/mol, XLogP of 3.65, 5 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-fluorophenyl]methyl]tetrazol-5-yl]quinolin-3-amine is sourced from PubChem (CID 169049723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).