N-[4-[3-[(4-quinolin-4-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]phenyl]acetamide

C24H24N6O2 — CID 146279309

IUPACN-[4-[3-[(4-quinolin-4-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2nc(CN3CCN(c4ccnc5ccccc45)CC3)no2)cc1
InChIInChI=1S/C24H24N6O2/c1-17(31)26-19-8-6-18(7-9-19)24-27-23(28-32-24)16-29-12-14-30(15-13-29)22-10-11-25-21-5-3-2-4-20(21)22/h2-11H,12-16H2,1H3,(H,26,31)
InChIKeyNEARJQKDRZYXJR-UHFFFAOYSA-N
MW428.50 g/mol
LogP3.57
Rot. Bonds5

About N-[4-[3-[(4-quinolin-4-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]phenyl]acetamide

N-[4-[3-[(4-quinolin-4-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]phenyl]acetamide (PubChem CID 146279309) has the molecular formula C24H24N6O2 and a molecular weight of 428.50 g/mol. Its IUPAC name is N-[4-[3-[(4-quinolin-4-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[3-[(4-quinolin-4-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]phenyl]acetamide
PubChem CID146279309
Molecular FormulaC24H24N6O2
Molecular Weight428.50 g/mol
Exact Mass428.20
IUPAC NameN-[4-[3-[(4-quinolin-4-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2nc(CN3CCN(c4ccnc5ccccc45)CC3)no2)cc1
InChIInChI=1S/C24H24N6O2/c1-17(31)26-19-8-6-18(7-9-19)24-27-23(28-32-24)16-29-12-14-30(15-13-29)22-10-11-25-21-5-3-2-4-20(21)22/h2-11H,12-16H2,1H3,(H,26,31)
InChIKeyNEARJQKDRZYXJR-UHFFFAOYSA-N
XLogP3.57
TPSA87.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.50
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[4-[3-[(4-quinolin-4-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]phenyl]acetamide with MolForge

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Related Compounds

4-[3-[(4-quinolin-4-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]phenol
CID 146289060
methyl 4-[3-[(4-quinolin-4-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]benzoate
CID 146279337
[4-[3-[(4-quinolin-4-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]phenyl]methanol
CID 146279331
5-(3-methylphenyl)-3-[[4-(7-pyridin-3-ylquinolin-4-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 146279308
3-[[4-(7-chloroquinolin-4-yl)piperazin-1-yl]methyl]-5-pyridin-3-yl-1,2,4-oxadiazole
CID 146279340
1-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]-N-phenylpiperidine-4-carboxamide
CID 50814395
1-(4-methylphenyl)-3-(1-quinolin-4-ylpiperidin-4-yl)urea
CID 44525916
3-[[4-(6-bromoquinolin-4-yl)piperazin-1-yl]methyl]-5-methyl-1,2,4-oxadiazole
CID 133342756
1-morpholin-4-yl-2-(4-quinolin-4-ylpiperazin-1-yl)ethanone
CID 75370496
N-(2-chlorophenyl)-2-[4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]acetamide
CID 112804309
1-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-N-(4-hydroxyphenyl)piperidine-4-carboxamide
CID 50814431
N-(4-methoxyphenyl)-1-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]piperidine-4-carboxamide
CID 50814495

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-[(4-quinolin-4-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]phenyl]acetamide?
The IUPAC name of N-[4-[3-[(4-quinolin-4-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]phenyl]acetamide (CID 146279309) is N-[4-[3-[(4-quinolin-4-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]phenyl]acetamide.
What is the SMILES notation for N-[4-[3-[(4-quinolin-4-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]phenyl]acetamide?
The canonical SMILES for N-[4-[3-[(4-quinolin-4-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]phenyl]acetamide is CC(=O)Nc1ccc(-c2nc(CN3CCN(c4ccnc5ccccc45)CC3)no2)cc1.
What is the InChIKey of N-[4-[3-[(4-quinolin-4-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]phenyl]acetamide?
The InChIKey is NEARJQKDRZYXJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O2/c1-17(31)26-19-8-6-18(7-9-19)24-27-23(28-32-24)16-29-12-14-30(15-13-29)22-10-11-25-21-5-3-2-4-20(21)22/h2-11H,12-16H2,1H3,(H,26,31).
What are the key properties of N-[4-[3-[(4-quinolin-4-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]phenyl]acetamide?
N-[4-[3-[(4-quinolin-4-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]phenyl]acetamide has a molecular weight of 428.50 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-[(4-quinolin-4-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]phenyl]acetamide is sourced from PubChem (CID 146279309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).