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

C19H23N5O — CID 56811286

IUPAC3-ethyl-5-[[4-(quinolin-8-ylmethyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole
SMILESCCc1noc(CN2CCN(Cc3cccc4cccnc34)CC2)n1
InChIInChI=1S/C19H23N5O/c1-2-17-21-18(25-22-17)14-24-11-9-23(10-12-24)13-16-6-3-5-15-7-4-8-20-19(15)16/h3-8H,2,9-14H2,1H3
InChIKeyUKEROPNEBFCXHD-UHFFFAOYSA-N
MW337.43 g/mol
LogP2.50
Rot. Bonds5

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

3-ethyl-5-[[4-(quinolin-8-ylmethyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole (PubChem CID 56811286) has the molecular formula C19H23N5O and a molecular weight of 337.43 g/mol. Its IUPAC name is 3-ethyl-5-[[4-(quinolin-8-ylmethyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-ethyl-5-[[4-(quinolin-8-ylmethyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole
PubChem CID56811286
Molecular FormulaC19H23N5O
Molecular Weight337.43 g/mol
Exact Mass337.19
IUPAC Name3-ethyl-5-[[4-(quinolin-8-ylmethyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole
SMILESCCc1noc(CN2CCN(Cc3cccc4cccnc34)CC2)n1
InChIInChI=1S/C19H23N5O/c1-2-17-21-18(25-22-17)14-24-11-9-23(10-12-24)13-16-6-3-5-15-7-4-8-20-19(15)16/h3-8H,2,9-14H2,1H3
InChIKeyUKEROPNEBFCXHD-UHFFFAOYSA-N
XLogP2.50
TPSA58.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-ethyl-5-[[4-(quinolin-8-ylmethyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole with MolForge

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Related Compounds

5-cyclopropyl-3-[[4-(quinolin-8-ylmethyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 126806999
3-methyl-5-[[4-(quinolin-8-ylmethyl)piperazin-1-yl]methyl]-1,2-oxazole
CID 32742377
3-butyl-5-[[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 55534209
8-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]quinoline
CID 30385370
8-(piperazin-1-ylmethyl)quinoline;dihydrochloride
CID 82025621
8-[(4-pyridin-2-ylpiperazin-1-yl)methyl]quinoline
CID 17451460
3,5-dimethyl-4-[4-(quinolin-8-ylmethyl)piperazin-1-yl]sulfonyl-1,2-oxazole
CID 16621991
8-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]quinoline
CID 18131319
N,N-dimethyl-4-(quinolin-8-ylmethyl)piperazine-1-sulfonamide
CID 34787759
4-(hydroxymethyl)-1-(quinolin-8-ylmethyl)piperidin-4-ol
CID 56760267
8-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]quinoline
CID 18168047
8-[(5-methyl-1,4-diazepan-1-yl)methyl]quinoline
CID 81423173

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-[[4-(quinolin-8-ylmethyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole?
The IUPAC name of 3-ethyl-5-[[4-(quinolin-8-ylmethyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole (CID 56811286) is 3-ethyl-5-[[4-(quinolin-8-ylmethyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-ethyl-5-[[4-(quinolin-8-ylmethyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-ethyl-5-[[4-(quinolin-8-ylmethyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole is CCc1noc(CN2CCN(Cc3cccc4cccnc34)CC2)n1.
What is the InChIKey of 3-ethyl-5-[[4-(quinolin-8-ylmethyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole?
The InChIKey is UKEROPNEBFCXHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O/c1-2-17-21-18(25-22-17)14-24-11-9-23(10-12-24)13-16-6-3-5-15-7-4-8-20-19(15)16/h3-8H,2,9-14H2,1H3.
What are the key properties of 3-ethyl-5-[[4-(quinolin-8-ylmethyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole?
3-ethyl-5-[[4-(quinolin-8-ylmethyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole has a molecular weight of 337.43 g/mol, XLogP of 2.50, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-[[4-(quinolin-8-ylmethyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 56811286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).