1-[8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-propan-2-ylquinolin-2-yl]piperidin-4-amine

C21H26FN5O — CID 142491959

IUPAC1-[8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-propan-2-ylquinolin-2-yl]piperidin-4-amine
SMILESCc1noc(-c2c(N3CCC(N)CC3)nc3c(F)cc(C(C)C)cc3c2C)n1
InChIInChI=1S/C21H26FN5O/c1-11(2)14-9-16-12(3)18(21-24-13(4)26-28-21)20(25-19(16)17(22)10-14)27-7-5-15(23)6-8-27/h9-11,15H,5-8,23H2,1-4H3
InChIKeyVELDJPJOZTWRQL-UHFFFAOYSA-N
MW383.47 g/mol
LogP4.09
Rot. Bonds3

About 1-[8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-propan-2-ylquinolin-2-yl]piperidin-4-amine

1-[8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-propan-2-ylquinolin-2-yl]piperidin-4-amine (PubChem CID 142491959) has the molecular formula C21H26FN5O and a molecular weight of 383.47 g/mol. Its IUPAC name is 1-[8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-propan-2-ylquinolin-2-yl]piperidin-4-amine.

Molecular Properties

Compound Name1-[8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-propan-2-ylquinolin-2-yl]piperidin-4-amine
PubChem CID142491959
Molecular FormulaC21H26FN5O
Molecular Weight383.47 g/mol
Exact Mass383.21
IUPAC Name1-[8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-propan-2-ylquinolin-2-yl]piperidin-4-amine
SMILESCc1noc(-c2c(N3CCC(N)CC3)nc3c(F)cc(C(C)C)cc3c2C)n1
InChIInChI=1S/C21H26FN5O/c1-11(2)14-9-16-12(3)18(21-24-13(4)26-28-21)20(25-19(16)17(22)10-14)27-7-5-15(23)6-8-27/h9-11,15H,5-8,23H2,1-4H3
InChIKeyVELDJPJOZTWRQL-UHFFFAOYSA-N
XLogP4.09
TPSA81.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-propan-2-ylquinolin-2-yl]piperidin-4-amine?
The IUPAC name of 1-[8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-propan-2-ylquinolin-2-yl]piperidin-4-amine (CID 142491959) is 1-[8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-propan-2-ylquinolin-2-yl]piperidin-4-amine.
What is the SMILES notation for 1-[8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-propan-2-ylquinolin-2-yl]piperidin-4-amine?
The canonical SMILES for 1-[8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-propan-2-ylquinolin-2-yl]piperidin-4-amine is Cc1noc(-c2c(N3CCC(N)CC3)nc3c(F)cc(C(C)C)cc3c2C)n1.
What is the InChIKey of 1-[8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-propan-2-ylquinolin-2-yl]piperidin-4-amine?
The InChIKey is VELDJPJOZTWRQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FN5O/c1-11(2)14-9-16-12(3)18(21-24-13(4)26-28-21)20(25-19(16)17(22)10-14)27-7-5-15(23)6-8-27/h9-11,15H,5-8,23H2,1-4H3.
What are the key properties of 1-[8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-propan-2-ylquinolin-2-yl]piperidin-4-amine?
1-[8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-propan-2-ylquinolin-2-yl]piperidin-4-amine has a molecular weight of 383.47 g/mol, XLogP of 4.09, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-propan-2-ylquinolin-2-yl]piperidin-4-amine is sourced from PubChem (CID 142491959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).