5-[[4-(8-chloro-2,7-dimethylquinolin-4-yl)piperazin-1-yl]methyl]-3-(2-methylphenyl)-1,2,4-oxadiazole

C25H26ClN5O — CID 166326789

IUPAC5-[[4-(8-chloro-2,7-dimethylquinolin-4-yl)piperazin-1-yl]methyl]-3-(2-methylphenyl)-1,2,4-oxadiazole
SMILESCc1cc(N2CCN(Cc3nc(-c4ccccc4C)no3)CC2)c2ccc(C)c(Cl)c2n1
InChIInChI=1S/C25H26ClN5O/c1-16-6-4-5-7-19(16)25-28-22(32-29-25)15-30-10-12-31(13-11-30)21-14-18(3)27-24-20(21)9-8-17(2)23(24)26/h4-9,14H,10-13,15H2,1-3H3
InChIKeyPAQRMISGFYDTER-UHFFFAOYSA-N
MW447.97 g/mol
LogP5.19
Rot. Bonds4

About 5-[[4-(8-chloro-2,7-dimethylquinolin-4-yl)piperazin-1-yl]methyl]-3-(2-methylphenyl)-1,2,4-oxadiazole

5-[[4-(8-chloro-2,7-dimethylquinolin-4-yl)piperazin-1-yl]methyl]-3-(2-methylphenyl)-1,2,4-oxadiazole (PubChem CID 166326789) has the molecular formula C25H26ClN5O and a molecular weight of 447.97 g/mol. Its IUPAC name is 5-[[4-(8-chloro-2,7-dimethylquinolin-4-yl)piperazin-1-yl]methyl]-3-(2-methylphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[[4-(8-chloro-2,7-dimethylquinolin-4-yl)piperazin-1-yl]methyl]-3-(2-methylphenyl)-1,2,4-oxadiazole
PubChem CID166326789
Molecular FormulaC25H26ClN5O
Molecular Weight447.97 g/mol
Exact Mass447.18
IUPAC Name5-[[4-(8-chloro-2,7-dimethylquinolin-4-yl)piperazin-1-yl]methyl]-3-(2-methylphenyl)-1,2,4-oxadiazole
SMILESCc1cc(N2CCN(Cc3nc(-c4ccccc4C)no3)CC2)c2ccc(C)c(Cl)c2n1
InChIInChI=1S/C25H26ClN5O/c1-16-6-4-5-7-19(16)25-28-22(32-29-25)15-30-10-12-31(13-11-30)21-14-18(3)27-24-20(21)9-8-17(2)23(24)26/h4-9,14H,10-13,15H2,1-3H3
InChIKeyPAQRMISGFYDTER-UHFFFAOYSA-N
XLogP5.19
TPSA58.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.97
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-[[4-(8-chloro-2,7-dimethylquinolin-4-yl)piperazin-1-yl]methyl]-3-(2-methylphenyl)-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

Related Compounds

4,5-dimethyl-2-[[4-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methyl]phenol
CID 46443595
3-(2-methylphenyl)-5-[[4-[6-(trifluoromethyl)pyridazin-3-yl]piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 133418498
5-[[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl]-3-(3-chlorophenyl)-1,2,4-oxadiazole
CID 9028953
3-(3-chlorophenyl)-5-[[4-(2-methylphenyl)-1,4-diazepan-1-yl]methyl]-1,2,4-oxadiazole
CID 42530638
methyl 2-[4-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]acetate
CID 34552390
(6-chloroquinolin-8-yl)-[4-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methanone
CID 55909156
3-[2-(difluoromethoxy)phenyl]-5-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 78807787
2-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]phenol
CID 27156351
5-[(2,3-dimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methyl]-3-(2-methylphenyl)-1,2,4-oxadiazole
CID 86774882
2-[4-[[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]phenol
CID 17440213
(3-iodophenyl)-[4-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methanone
CID 39586517
N-methyl-1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-3-amine
CID 81492893

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(8-chloro-2,7-dimethylquinolin-4-yl)piperazin-1-yl]methyl]-3-(2-methylphenyl)-1,2,4-oxadiazole?
The IUPAC name of 5-[[4-(8-chloro-2,7-dimethylquinolin-4-yl)piperazin-1-yl]methyl]-3-(2-methylphenyl)-1,2,4-oxadiazole (CID 166326789) is 5-[[4-(8-chloro-2,7-dimethylquinolin-4-yl)piperazin-1-yl]methyl]-3-(2-methylphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[[4-(8-chloro-2,7-dimethylquinolin-4-yl)piperazin-1-yl]methyl]-3-(2-methylphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[[4-(8-chloro-2,7-dimethylquinolin-4-yl)piperazin-1-yl]methyl]-3-(2-methylphenyl)-1,2,4-oxadiazole is Cc1cc(N2CCN(Cc3nc(-c4ccccc4C)no3)CC2)c2ccc(C)c(Cl)c2n1.
What is the InChIKey of 5-[[4-(8-chloro-2,7-dimethylquinolin-4-yl)piperazin-1-yl]methyl]-3-(2-methylphenyl)-1,2,4-oxadiazole?
The InChIKey is PAQRMISGFYDTER-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26ClN5O/c1-16-6-4-5-7-19(16)25-28-22(32-29-25)15-30-10-12-31(13-11-30)21-14-18(3)27-24-20(21)9-8-17(2)23(24)26/h4-9,14H,10-13,15H2,1-3H3.
What are the key properties of 5-[[4-(8-chloro-2,7-dimethylquinolin-4-yl)piperazin-1-yl]methyl]-3-(2-methylphenyl)-1,2,4-oxadiazole?
5-[[4-(8-chloro-2,7-dimethylquinolin-4-yl)piperazin-1-yl]methyl]-3-(2-methylphenyl)-1,2,4-oxadiazole has a molecular weight of 447.97 g/mol, XLogP of 5.19, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(8-chloro-2,7-dimethylquinolin-4-yl)piperazin-1-yl]methyl]-3-(2-methylphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 166326789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).