[2-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]quinolin-3-yl]methanol

C20H22N4O2 — CID 133475185

IUPAC[2-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]quinolin-3-yl]methanol
SMILESOCc1cc2ccccc2nc1N1CCC(c2noc(C3CC3)n2)CC1
InChIInChI=1S/C20H22N4O2/c25-12-16-11-15-3-1-2-4-17(15)21-19(16)24-9-7-13(8-10-24)18-22-20(26-23-18)14-5-6-14/h1-4,11,13-14,25H,5-10,12H2
InChIKeyJIVORNFBKHSZCQ-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.37
Rot. Bonds4

About [2-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]quinolin-3-yl]methanol

[2-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]quinolin-3-yl]methanol (PubChem CID 133475185) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is [2-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]quinolin-3-yl]methanol.

Molecular Properties

Compound Name[2-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]quinolin-3-yl]methanol
PubChem CID133475185
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name[2-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]quinolin-3-yl]methanol
SMILESOCc1cc2ccccc2nc1N1CCC(c2noc(C3CC3)n2)CC1
InChIInChI=1S/C20H22N4O2/c25-12-16-11-15-3-1-2-4-17(15)21-19(16)24-9-7-13(8-10-24)18-22-20(26-23-18)14-5-6-14/h1-4,11,13-14,25H,5-10,12H2
InChIKeyJIVORNFBKHSZCQ-UHFFFAOYSA-N
XLogP3.37
TPSA75.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]quinolin-3-yl]methanol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]quinolin-3-yl]methanol?
The IUPAC name of [2-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]quinolin-3-yl]methanol (CID 133475185) is [2-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]quinolin-3-yl]methanol.
What is the SMILES notation for [2-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]quinolin-3-yl]methanol?
The canonical SMILES for [2-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]quinolin-3-yl]methanol is OCc1cc2ccccc2nc1N1CCC(c2noc(C3CC3)n2)CC1.
What is the InChIKey of [2-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]quinolin-3-yl]methanol?
The InChIKey is JIVORNFBKHSZCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c25-12-16-11-15-3-1-2-4-17(15)21-19(16)24-9-7-13(8-10-24)18-22-20(26-23-18)14-5-6-14/h1-4,11,13-14,25H,5-10,12H2.
What are the key properties of [2-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]quinolin-3-yl]methanol?
[2-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]quinolin-3-yl]methanol has a molecular weight of 350.42 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]quinolin-3-yl]methanol is sourced from PubChem (CID 133475185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).