1-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-6-methylquinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine

C25H31N5O2 — CID 73296773

IUPAC1-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-6-methylquinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine
SMILESCc1ccc2nc(N3CCC(NC4CCOCC4)CC3)c(-c3nc(C4CC4)no3)cc2c1
InChIInChI=1S/C25H31N5O2/c1-16-2-5-22-18(14-16)15-21(25-28-23(29-32-25)17-3-4-17)24(27-22)30-10-6-19(7-11-30)26-20-8-12-31-13-9-20/h2,5,14-15,17,19-20,26H,3-4,6-13H2,1H3
InChIKeyPARBSCKRNFBXFZ-UHFFFAOYSA-N
MW433.56 g/mol
LogP4.21
Rot. Bonds5

About 1-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-6-methylquinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine

1-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-6-methylquinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine (PubChem CID 73296773) has the molecular formula C25H31N5O2 and a molecular weight of 433.56 g/mol. Its IUPAC name is 1-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-6-methylquinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine.

Molecular Properties

Compound Name1-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-6-methylquinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine
PubChem CID73296773
Molecular FormulaC25H31N5O2
Molecular Weight433.56 g/mol
Exact Mass433.25
IUPAC Name1-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-6-methylquinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine
SMILESCc1ccc2nc(N3CCC(NC4CCOCC4)CC3)c(-c3nc(C4CC4)no3)cc2c1
InChIInChI=1S/C25H31N5O2/c1-16-2-5-22-18(14-16)15-21(25-28-23(29-32-25)17-3-4-17)24(27-22)30-10-6-19(7-11-30)26-20-8-12-31-13-9-20/h2,5,14-15,17,19-20,26H,3-4,6-13H2,1H3
InChIKeyPARBSCKRNFBXFZ-UHFFFAOYSA-N
XLogP4.21
TPSA76.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.56
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-6-methylquinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine?
The IUPAC name of 1-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-6-methylquinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine (CID 73296773) is 1-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-6-methylquinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine.
What is the SMILES notation for 1-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-6-methylquinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine?
The canonical SMILES for 1-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-6-methylquinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine is Cc1ccc2nc(N3CCC(NC4CCOCC4)CC3)c(-c3nc(C4CC4)no3)cc2c1.
What is the InChIKey of 1-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-6-methylquinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine?
The InChIKey is PARBSCKRNFBXFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N5O2/c1-16-2-5-22-18(14-16)15-21(25-28-23(29-32-25)17-3-4-17)24(27-22)30-10-6-19(7-11-30)26-20-8-12-31-13-9-20/h2,5,14-15,17,19-20,26H,3-4,6-13H2,1H3.
What are the key properties of 1-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-6-methylquinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine?
1-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-6-methylquinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine has a molecular weight of 433.56 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-6-methylquinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine is sourced from PubChem (CID 73296773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).