5-cyclopropyl-3-[[4-(quinolin-8-ylmethyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole

C20H23N5O — CID 126806999

IUPAC5-cyclopropyl-3-[[4-(quinolin-8-ylmethyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole
SMILESc1cnc2c(CN3CCN(Cc4noc(C5CC5)n4)CC3)cccc2c1
InChIInChI=1S/C20H23N5O/c1-3-15-5-2-8-21-19(15)17(4-1)13-24-9-11-25(12-10-24)14-18-22-20(26-23-18)16-6-7-16/h1-5,8,16H,6-7,9-14H2
InChIKeyKEMIRGBDKKSDMF-UHFFFAOYSA-N
MW349.44 g/mol
LogP2.81
Rot. Bonds5

About 5-cyclopropyl-3-[[4-(quinolin-8-ylmethyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole

5-cyclopropyl-3-[[4-(quinolin-8-ylmethyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole (PubChem CID 126806999) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is 5-cyclopropyl-3-[[4-(quinolin-8-ylmethyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-cyclopropyl-3-[[4-(quinolin-8-ylmethyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole
PubChem CID126806999
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC Name5-cyclopropyl-3-[[4-(quinolin-8-ylmethyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole
SMILESc1cnc2c(CN3CCN(Cc4noc(C5CC5)n4)CC3)cccc2c1
InChIInChI=1S/C20H23N5O/c1-3-15-5-2-8-21-19(15)17(4-1)13-24-9-11-25(12-10-24)14-18-22-20(26-23-18)16-6-7-16/h1-5,8,16H,6-7,9-14H2
InChIKeyKEMIRGBDKKSDMF-UHFFFAOYSA-N
XLogP2.81
TPSA58.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-(1-cyclopropylpiperidin-4-yl)-3-(quinolin-8-ylmethyl)-1,2,4-oxadiazole
CID 119050129
3-ethyl-5-[[4-(quinolin-8-ylmethyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 56811286
3-(2-methylphenyl)-5-[(3S)-1-(quinolin-8-ylmethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole
CID 95830078
3-methyl-5-[[4-(quinolin-8-ylmethyl)piperazin-1-yl]methyl]-1,2-oxazole
CID 32742377
8-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]quinoline
CID 30385370
1-(quinolin-8-ylmethyl)piperidine-4-carbaldehyde
CID 62654466
8-(piperazin-1-ylmethyl)quinoline;dihydrochloride
CID 82025621
8-[(4-pyridin-2-ylpiperazin-1-yl)methyl]quinoline
CID 17451460
8-[(5-methyl-1,4-diazepan-1-yl)methyl]quinoline
CID 81423173
3,5-dimethyl-4-[4-(quinolin-8-ylmethyl)piperazin-1-yl]sulfonyl-1,2-oxazole
CID 16621991
N'-hydroxy-1-(quinolin-8-ylmethyl)piperidine-4-carboximidamide
CID 77038510
8-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)quinoline
CID 78945122

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-3-[[4-(quinolin-8-ylmethyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole?
The IUPAC name of 5-cyclopropyl-3-[[4-(quinolin-8-ylmethyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole (CID 126806999) is 5-cyclopropyl-3-[[4-(quinolin-8-ylmethyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-cyclopropyl-3-[[4-(quinolin-8-ylmethyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-cyclopropyl-3-[[4-(quinolin-8-ylmethyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole is c1cnc2c(CN3CCN(Cc4noc(C5CC5)n4)CC3)cccc2c1.
What is the InChIKey of 5-cyclopropyl-3-[[4-(quinolin-8-ylmethyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole?
The InChIKey is KEMIRGBDKKSDMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O/c1-3-15-5-2-8-21-19(15)17(4-1)13-24-9-11-25(12-10-24)14-18-22-20(26-23-18)16-6-7-16/h1-5,8,16H,6-7,9-14H2.
What are the key properties of 5-cyclopropyl-3-[[4-(quinolin-8-ylmethyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole?
5-cyclopropyl-3-[[4-(quinolin-8-ylmethyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole has a molecular weight of 349.44 g/mol, XLogP of 2.81, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-3-[[4-(quinolin-8-ylmethyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 126806999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).