5-(4-propan-2-ylphenyl)-3-[[4-(7-pyridin-3-ylquinolin-4-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole

C30H30N6O — CID 146279269

IUPAC5-(4-propan-2-ylphenyl)-3-[[4-(7-pyridin-3-ylquinolin-4-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole
SMILESCC(C)c1ccc(-c2nc(CN3CCN(c4ccnc5cc(-c6cccnc6)ccc45)CC3)no2)cc1
InChIInChI=1S/C30H30N6O/c1-21(2)22-5-7-23(8-6-22)30-33-29(34-37-30)20-35-14-16-36(17-15-35)28-11-13-32-27-18-24(9-10-26(27)28)25-4-3-12-31-19-25/h3-13,18-19,21H,14-17,20H2,1-2H3
InChIKeyHIQQOKPODUCWTH-UHFFFAOYSA-N
MW490.61 g/mol
LogP5.79
Rot. Bonds6

About 5-(4-propan-2-ylphenyl)-3-[[4-(7-pyridin-3-ylquinolin-4-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole

5-(4-propan-2-ylphenyl)-3-[[4-(7-pyridin-3-ylquinolin-4-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole (PubChem CID 146279269) has the molecular formula C30H30N6O and a molecular weight of 490.61 g/mol. Its IUPAC name is 5-(4-propan-2-ylphenyl)-3-[[4-(7-pyridin-3-ylquinolin-4-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(4-propan-2-ylphenyl)-3-[[4-(7-pyridin-3-ylquinolin-4-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole
PubChem CID146279269
Molecular FormulaC30H30N6O
Molecular Weight490.61 g/mol
Exact Mass490.25
IUPAC Name5-(4-propan-2-ylphenyl)-3-[[4-(7-pyridin-3-ylquinolin-4-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole
SMILESCC(C)c1ccc(-c2nc(CN3CCN(c4ccnc5cc(-c6cccnc6)ccc45)CC3)no2)cc1
InChIInChI=1S/C30H30N6O/c1-21(2)22-5-7-23(8-6-22)30-33-29(34-37-30)20-35-14-16-36(17-15-35)28-11-13-32-27-18-24(9-10-26(27)28)25-4-3-12-31-19-25/h3-13,18-19,21H,14-17,20H2,1-2H3
InChIKeyHIQQOKPODUCWTH-UHFFFAOYSA-N
XLogP5.79
TPSA71.18 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.61
LogP ≤ 55.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-(4-propan-2-ylphenyl)-3-[[4-(7-pyridin-3-ylquinolin-4-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole 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 5-(4-propan-2-ylphenyl)-3-[[4-(7-pyridin-3-ylquinolin-4-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole?
The IUPAC name of 5-(4-propan-2-ylphenyl)-3-[[4-(7-pyridin-3-ylquinolin-4-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole (CID 146279269) is 5-(4-propan-2-ylphenyl)-3-[[4-(7-pyridin-3-ylquinolin-4-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-(4-propan-2-ylphenyl)-3-[[4-(7-pyridin-3-ylquinolin-4-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-(4-propan-2-ylphenyl)-3-[[4-(7-pyridin-3-ylquinolin-4-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole is CC(C)c1ccc(-c2nc(CN3CCN(c4ccnc5cc(-c6cccnc6)ccc45)CC3)no2)cc1.
What is the InChIKey of 5-(4-propan-2-ylphenyl)-3-[[4-(7-pyridin-3-ylquinolin-4-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole?
The InChIKey is HIQQOKPODUCWTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N6O/c1-21(2)22-5-7-23(8-6-22)30-33-29(34-37-30)20-35-14-16-36(17-15-35)28-11-13-32-27-18-24(9-10-26(27)28)25-4-3-12-31-19-25/h3-13,18-19,21H,14-17,20H2,1-2H3.
What are the key properties of 5-(4-propan-2-ylphenyl)-3-[[4-(7-pyridin-3-ylquinolin-4-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole?
5-(4-propan-2-ylphenyl)-3-[[4-(7-pyridin-3-ylquinolin-4-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole has a molecular weight of 490.61 g/mol, XLogP of 5.79, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-propan-2-ylphenyl)-3-[[4-(7-pyridin-3-ylquinolin-4-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 146279269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).