8-methyl-N-(oxolan-2-ylmethyl)-3-(5-propyl-1,2,4-oxadiazol-3-yl)quinolin-2-amine

C20H24N4O2 — CID 50754686

IUPAC8-methyl-N-(oxolan-2-ylmethyl)-3-(5-propyl-1,2,4-oxadiazol-3-yl)quinolin-2-amine
SMILESCCCc1nc(-c2cc3cccc(C)c3nc2NCC2CCCO2)no1
InChIInChI=1S/C20H24N4O2/c1-3-6-17-22-20(24-26-17)16-11-14-8-4-7-13(2)18(14)23-19(16)21-12-15-9-5-10-25-15/h4,7-8,11,15H,3,5-6,9-10,12H2,1-2H3,(H,21,23)
InChIKeyQATLPLXGOLOJBB-UHFFFAOYSA-N
MW352.44 g/mol
LogP4.14
Rot. Bonds6

About 8-methyl-N-(oxolan-2-ylmethyl)-3-(5-propyl-1,2,4-oxadiazol-3-yl)quinolin-2-amine

8-methyl-N-(oxolan-2-ylmethyl)-3-(5-propyl-1,2,4-oxadiazol-3-yl)quinolin-2-amine (PubChem CID 50754686) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is 8-methyl-N-(oxolan-2-ylmethyl)-3-(5-propyl-1,2,4-oxadiazol-3-yl)quinolin-2-amine.

Molecular Properties

Compound Name8-methyl-N-(oxolan-2-ylmethyl)-3-(5-propyl-1,2,4-oxadiazol-3-yl)quinolin-2-amine
PubChem CID50754686
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC Name8-methyl-N-(oxolan-2-ylmethyl)-3-(5-propyl-1,2,4-oxadiazol-3-yl)quinolin-2-amine
SMILESCCCc1nc(-c2cc3cccc(C)c3nc2NCC2CCCO2)no1
InChIInChI=1S/C20H24N4O2/c1-3-6-17-22-20(24-26-17)16-11-14-8-4-7-13(2)18(14)23-19(16)21-12-15-9-5-10-25-15/h4,7-8,11,15H,3,5-6,9-10,12H2,1-2H3,(H,21,23)
InChIKeyQATLPLXGOLOJBB-UHFFFAOYSA-N
XLogP4.14
TPSA73.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 8-methyl-N-(oxolan-2-ylmethyl)-3-(5-propyl-1,2,4-oxadiazol-3-yl)quinolin-2-amine 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 8-methyl-N-(oxolan-2-ylmethyl)-3-(5-propyl-1,2,4-oxadiazol-3-yl)quinolin-2-amine?
The IUPAC name of 8-methyl-N-(oxolan-2-ylmethyl)-3-(5-propyl-1,2,4-oxadiazol-3-yl)quinolin-2-amine (CID 50754686) is 8-methyl-N-(oxolan-2-ylmethyl)-3-(5-propyl-1,2,4-oxadiazol-3-yl)quinolin-2-amine.
What is the SMILES notation for 8-methyl-N-(oxolan-2-ylmethyl)-3-(5-propyl-1,2,4-oxadiazol-3-yl)quinolin-2-amine?
The canonical SMILES for 8-methyl-N-(oxolan-2-ylmethyl)-3-(5-propyl-1,2,4-oxadiazol-3-yl)quinolin-2-amine is CCCc1nc(-c2cc3cccc(C)c3nc2NCC2CCCO2)no1.
What is the InChIKey of 8-methyl-N-(oxolan-2-ylmethyl)-3-(5-propyl-1,2,4-oxadiazol-3-yl)quinolin-2-amine?
The InChIKey is QATLPLXGOLOJBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2/c1-3-6-17-22-20(24-26-17)16-11-14-8-4-7-13(2)18(14)23-19(16)21-12-15-9-5-10-25-15/h4,7-8,11,15H,3,5-6,9-10,12H2,1-2H3,(H,21,23).
What are the key properties of 8-methyl-N-(oxolan-2-ylmethyl)-3-(5-propyl-1,2,4-oxadiazol-3-yl)quinolin-2-amine?
8-methyl-N-(oxolan-2-ylmethyl)-3-(5-propyl-1,2,4-oxadiazol-3-yl)quinolin-2-amine has a molecular weight of 352.44 g/mol, XLogP of 4.14, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-N-(oxolan-2-ylmethyl)-3-(5-propyl-1,2,4-oxadiazol-3-yl)quinolin-2-amine is sourced from PubChem (CID 50754686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).