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

C28H26N6O — CID 146279308

IUPAC5-(3-methylphenyl)-3-[[4-(7-pyridin-3-ylquinolin-4-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole
SMILESCc1cccc(-c2nc(CN3CCN(c4ccnc5cc(-c6cccnc6)ccc45)CC3)no2)c1
InChIInChI=1S/C28H26N6O/c1-20-4-2-5-22(16-20)28-31-27(32-35-28)19-33-12-14-34(15-13-33)26-9-11-30-25-17-21(7-8-24(25)26)23-6-3-10-29-18-23/h2-11,16-18H,12-15,19H2,1H3
InChIKeyBFBNCECTCQEDEZ-UHFFFAOYSA-N
MW462.56 g/mol
LogP4.98
Rot. Bonds5

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

5-(3-methylphenyl)-3-[[4-(7-pyridin-3-ylquinolin-4-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole (PubChem CID 146279308) has the molecular formula C28H26N6O and a molecular weight of 462.56 g/mol. Its IUPAC name is 5-(3-methylphenyl)-3-[[4-(7-pyridin-3-ylquinolin-4-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(3-methylphenyl)-3-[[4-(7-pyridin-3-ylquinolin-4-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole
PubChem CID146279308
Molecular FormulaC28H26N6O
Molecular Weight462.56 g/mol
Exact Mass462.22
IUPAC Name5-(3-methylphenyl)-3-[[4-(7-pyridin-3-ylquinolin-4-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole
SMILESCc1cccc(-c2nc(CN3CCN(c4ccnc5cc(-c6cccnc6)ccc45)CC3)no2)c1
InChIInChI=1S/C28H26N6O/c1-20-4-2-5-22(16-20)28-31-27(32-35-28)19-33-12-14-34(15-13-33)26-9-11-30-25-17-21(7-8-24(25)26)23-6-3-10-29-18-23/h2-11,16-18H,12-15,19H2,1H3
InChIKeyBFBNCECTCQEDEZ-UHFFFAOYSA-N
XLogP4.98
TPSA71.18 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.56
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-(3-methylphenyl)-3-[[4-(7-pyridin-3-ylquinolin-4-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole with MolForge

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Related Compounds

3-[[4-(7-chloroquinolin-4-yl)piperazin-1-yl]methyl]-5-pyridin-3-yl-1,2,4-oxadiazole
CID 146279340
4-[3-[(4-quinolin-4-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]phenol
CID 146289060
[4-[3-[(4-quinolin-4-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]phenyl]methanol
CID 146279331
methyl 4-[3-[(4-quinolin-4-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]benzoate
CID 146279337
N-[4-[3-[(4-quinolin-4-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]phenyl]acetamide
CID 146279309
(3S,4R)-1-[[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidine-3,4-diol
CID 79420529
methyl 4-[[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]piperazine-1-carboxylate
CID 10087118
3-[[4-(6-bromoquinolin-4-yl)piperazin-1-yl]methyl]-5-methyl-1,2,4-oxadiazole
CID 133342756
(methylideneamino) 3-methoxy-N-[2-[4-(7-pyridin-3-ylquinolin-4-yl)piperazin-1-yl]ethyl]benzenecarboximidate
CID 153377500
3-[(2-methylbenzimidazol-1-yl)methyl]-5-pyridin-3-yl-1,2,4-oxadiazole
CID 51362891
1-[[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-2-one
CID 71823766
7-fluoro-4-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]quinoline
CID 133452406

Frequently Asked Questions

What is the IUPAC name of 5-(3-methylphenyl)-3-[[4-(7-pyridin-3-ylquinolin-4-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole?
The IUPAC name of 5-(3-methylphenyl)-3-[[4-(7-pyridin-3-ylquinolin-4-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole (CID 146279308) is 5-(3-methylphenyl)-3-[[4-(7-pyridin-3-ylquinolin-4-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-(3-methylphenyl)-3-[[4-(7-pyridin-3-ylquinolin-4-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-(3-methylphenyl)-3-[[4-(7-pyridin-3-ylquinolin-4-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole is Cc1cccc(-c2nc(CN3CCN(c4ccnc5cc(-c6cccnc6)ccc45)CC3)no2)c1.
What is the InChIKey of 5-(3-methylphenyl)-3-[[4-(7-pyridin-3-ylquinolin-4-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole?
The InChIKey is BFBNCECTCQEDEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N6O/c1-20-4-2-5-22(16-20)28-31-27(32-35-28)19-33-12-14-34(15-13-33)26-9-11-30-25-17-21(7-8-24(25)26)23-6-3-10-29-18-23/h2-11,16-18H,12-15,19H2,1H3.
What are the key properties of 5-(3-methylphenyl)-3-[[4-(7-pyridin-3-ylquinolin-4-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole?
5-(3-methylphenyl)-3-[[4-(7-pyridin-3-ylquinolin-4-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole has a molecular weight of 462.56 g/mol, XLogP of 4.98, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methylphenyl)-3-[[4-(7-pyridin-3-ylquinolin-4-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 146279308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).