2-[1-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]ethyl]-5-phenyl-1,3,4-oxadiazole

C24H25N5O3S — CID 43074720

IUPAC2-[1-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]ethyl]-5-phenyl-1,3,4-oxadiazole
SMILESCc1cnc2c(S(=O)(=O)N3CCN(C(C)c4nnc(-c5ccccc5)o4)CC3)cccc2c1
InChIInChI=1S/C24H25N5O3S/c1-17-15-20-9-6-10-21(22(20)25-16-17)33(30,31)29-13-11-28(12-14-29)18(2)23-26-27-24(32-23)19-7-4-3-5-8-19/h3-10,15-16,18H,11-14H2,1-2H3
InChIKeyRISOKVFVJKOZRL-UHFFFAOYSA-N
MW463.56 g/mol
LogP3.66
Rot. Bonds5

About 2-[1-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]ethyl]-5-phenyl-1,3,4-oxadiazole

2-[1-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]ethyl]-5-phenyl-1,3,4-oxadiazole (PubChem CID 43074720) has the molecular formula C24H25N5O3S and a molecular weight of 463.56 g/mol. Its IUPAC name is 2-[1-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]ethyl]-5-phenyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[1-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]ethyl]-5-phenyl-1,3,4-oxadiazole
PubChem CID43074720
Molecular FormulaC24H25N5O3S
Molecular Weight463.56 g/mol
Exact Mass463.17
IUPAC Name2-[1-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]ethyl]-5-phenyl-1,3,4-oxadiazole
SMILESCc1cnc2c(S(=O)(=O)N3CCN(C(C)c4nnc(-c5ccccc5)o4)CC3)cccc2c1
InChIInChI=1S/C24H25N5O3S/c1-17-15-20-9-6-10-21(22(20)25-16-17)33(30,31)29-13-11-28(12-14-29)18(2)23-26-27-24(32-23)19-7-4-3-5-8-19/h3-10,15-16,18H,11-14H2,1-2H3
InChIKeyRISOKVFVJKOZRL-UHFFFAOYSA-N
XLogP3.66
TPSA92.43 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.56
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[1-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]ethyl]-5-phenyl-1,3,4-oxadiazole with MolForge

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Related Compounds

2-[(1R)-1-(4-methylsulfonylpiperazin-1-yl)ethyl]-5-phenyl-1,3,4-oxadiazole
CID 31873148
2-phenyl-5-[1-[4-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonyl)piperazin-1-yl]ethyl]-1,3,4-oxadiazole
CID 55988104
N,N-dimethyl-2-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]-2-phenylacetamide
CID 43074722
2-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]-N-pyrimidin-2-ylpropanamide
CID 51119868
3-methyl-8-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]sulfonylquinoline
CID 34157363
2-[(1S)-1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]ethyl]-5-phenyl-1,3,4-oxadiazole
CID 41231423
3-methyl-8-[4-(thiophen-2-ylmethyl)piperazin-1-yl]sulfonylquinoline
CID 30598898
2-[1-[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-yl]ethyl]-5-phenyl-1,3,4-oxadiazole
CID 55387528
2,6-dimethyl-4-[4-[1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]sulfonylmorpholine
CID 55600929
3-methyl-8-(4-prop-2-ynylpiperazin-1-yl)sulfonylquinoline
CID 86989080
3-methyl-8-[4-[(4-methylphenyl)methyl]piperazin-1-yl]sulfonylquinoline
CID 37088720
2-(3-methylphenyl)-5-[1-(4-phenylpiperazin-1-yl)ethyl]-1,3,4-oxadiazole
CID 17396975

Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]ethyl]-5-phenyl-1,3,4-oxadiazole?
The IUPAC name of 2-[1-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]ethyl]-5-phenyl-1,3,4-oxadiazole (CID 43074720) is 2-[1-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]ethyl]-5-phenyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[1-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]ethyl]-5-phenyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[1-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]ethyl]-5-phenyl-1,3,4-oxadiazole is Cc1cnc2c(S(=O)(=O)N3CCN(C(C)c4nnc(-c5ccccc5)o4)CC3)cccc2c1.
What is the InChIKey of 2-[1-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]ethyl]-5-phenyl-1,3,4-oxadiazole?
The InChIKey is RISOKVFVJKOZRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O3S/c1-17-15-20-9-6-10-21(22(20)25-16-17)33(30,31)29-13-11-28(12-14-29)18(2)23-26-27-24(32-23)19-7-4-3-5-8-19/h3-10,15-16,18H,11-14H2,1-2H3.
What are the key properties of 2-[1-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]ethyl]-5-phenyl-1,3,4-oxadiazole?
2-[1-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]ethyl]-5-phenyl-1,3,4-oxadiazole has a molecular weight of 463.56 g/mol, XLogP of 3.66, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]ethyl]-5-phenyl-1,3,4-oxadiazole is sourced from PubChem (CID 43074720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).