5-[1-(6-chloro-7-fluoroquinolin-4-yl)piperidin-3-yl]-3-methyl-1,2,4-oxadiazole

C17H16ClFN4O — CID 128558614

IUPAC5-[1-(6-chloro-7-fluoroquinolin-4-yl)piperidin-3-yl]-3-methyl-1,2,4-oxadiazole
SMILESCc1noc(C2CCCN(c3ccnc4cc(F)c(Cl)cc34)C2)n1
InChIInChI=1S/C17H16ClFN4O/c1-10-21-17(24-22-10)11-3-2-6-23(9-11)16-4-5-20-15-8-14(19)13(18)7-12(15)16/h4-5,7-8,11H,2-3,6,9H2,1H3
InChIKeyPKRYOAPVYQNAJV-UHFFFAOYSA-N
MW346.79 g/mol
LogP4.10
Rot. Bonds2

About 5-[1-(6-chloro-7-fluoroquinolin-4-yl)piperidin-3-yl]-3-methyl-1,2,4-oxadiazole

5-[1-(6-chloro-7-fluoroquinolin-4-yl)piperidin-3-yl]-3-methyl-1,2,4-oxadiazole (PubChem CID 128558614) has the molecular formula C17H16ClFN4O and a molecular weight of 346.79 g/mol. Its IUPAC name is 5-[1-(6-chloro-7-fluoroquinolin-4-yl)piperidin-3-yl]-3-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[1-(6-chloro-7-fluoroquinolin-4-yl)piperidin-3-yl]-3-methyl-1,2,4-oxadiazole
PubChem CID128558614
Molecular FormulaC17H16ClFN4O
Molecular Weight346.79 g/mol
Exact Mass346.10
IUPAC Name5-[1-(6-chloro-7-fluoroquinolin-4-yl)piperidin-3-yl]-3-methyl-1,2,4-oxadiazole
SMILESCc1noc(C2CCCN(c3ccnc4cc(F)c(Cl)cc34)C2)n1
InChIInChI=1S/C17H16ClFN4O/c1-10-21-17(24-22-10)11-3-2-6-23(9-11)16-4-5-20-15-8-14(19)13(18)7-12(15)16/h4-5,7-8,11H,2-3,6,9H2,1H3
InChIKeyPKRYOAPVYQNAJV-UHFFFAOYSA-N
XLogP4.10
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.79
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(6-chloro-7-fluoroquinolin-4-yl)piperidin-3-yl]-3-methyl-1,2,4-oxadiazole?
The IUPAC name of 5-[1-(6-chloro-7-fluoroquinolin-4-yl)piperidin-3-yl]-3-methyl-1,2,4-oxadiazole (CID 128558614) is 5-[1-(6-chloro-7-fluoroquinolin-4-yl)piperidin-3-yl]-3-methyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[1-(6-chloro-7-fluoroquinolin-4-yl)piperidin-3-yl]-3-methyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[1-(6-chloro-7-fluoroquinolin-4-yl)piperidin-3-yl]-3-methyl-1,2,4-oxadiazole is Cc1noc(C2CCCN(c3ccnc4cc(F)c(Cl)cc34)C2)n1.
What is the InChIKey of 5-[1-(6-chloro-7-fluoroquinolin-4-yl)piperidin-3-yl]-3-methyl-1,2,4-oxadiazole?
The InChIKey is PKRYOAPVYQNAJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClFN4O/c1-10-21-17(24-22-10)11-3-2-6-23(9-11)16-4-5-20-15-8-14(19)13(18)7-12(15)16/h4-5,7-8,11H,2-3,6,9H2,1H3.
What are the key properties of 5-[1-(6-chloro-7-fluoroquinolin-4-yl)piperidin-3-yl]-3-methyl-1,2,4-oxadiazole?
5-[1-(6-chloro-7-fluoroquinolin-4-yl)piperidin-3-yl]-3-methyl-1,2,4-oxadiazole has a molecular weight of 346.79 g/mol, XLogP of 4.10, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(6-chloro-7-fluoroquinolin-4-yl)piperidin-3-yl]-3-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 128558614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).