2-[[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]methyl]quinolin-8-ol

C18H20N4O2 — CID 56705838

IUPAC2-[[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]methyl]quinolin-8-ol
SMILESCN(Cc1ccc2cccc(O)c2n1)Cc1noc(C2CCC2)n1
InChIInChI=1S/C18H20N4O2/c1-22(11-16-20-18(24-21-16)13-5-2-6-13)10-14-9-8-12-4-3-7-15(23)17(12)19-14/h3-4,7-9,13,23H,2,5-6,10-11H2,1H3
InChIKeyGQWQUDZMWODRCY-UHFFFAOYSA-N
MW324.38 g/mol
LogP3.22
Rot. Bonds5

About 2-[[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]methyl]quinolin-8-ol

2-[[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]methyl]quinolin-8-ol (PubChem CID 56705838) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is 2-[[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]methyl]quinolin-8-ol.

Molecular Properties

Compound Name2-[[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]methyl]quinolin-8-ol
PubChem CID56705838
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC Name2-[[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]methyl]quinolin-8-ol
SMILESCN(Cc1ccc2cccc(O)c2n1)Cc1noc(C2CCC2)n1
InChIInChI=1S/C18H20N4O2/c1-22(11-16-20-18(24-21-16)13-5-2-6-13)10-14-9-8-12-4-3-7-15(23)17(12)19-14/h3-4,7-9,13,23H,2,5-6,10-11H2,1H3
InChIKeyGQWQUDZMWODRCY-UHFFFAOYSA-N
XLogP3.22
TPSA75.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]methyl]quinolin-8-ol?
The IUPAC name of 2-[[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]methyl]quinolin-8-ol (CID 56705838) is 2-[[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]methyl]quinolin-8-ol.
What is the SMILES notation for 2-[[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]methyl]quinolin-8-ol?
The canonical SMILES for 2-[[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]methyl]quinolin-8-ol is CN(Cc1ccc2cccc(O)c2n1)Cc1noc(C2CCC2)n1.
What is the InChIKey of 2-[[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]methyl]quinolin-8-ol?
The InChIKey is GQWQUDZMWODRCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-22(11-16-20-18(24-21-16)13-5-2-6-13)10-14-9-8-12-4-3-7-15(23)17(12)19-14/h3-4,7-9,13,23H,2,5-6,10-11H2,1H3.
What are the key properties of 2-[[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]methyl]quinolin-8-ol?
2-[[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]methyl]quinolin-8-ol has a molecular weight of 324.38 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]methyl]quinolin-8-ol is sourced from PubChem (CID 56705838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).