3-(1-methylpiperazin-2-yl)-5-(2-methylquinolin-3-yl)-1,2,4-oxadiazole;hydrochloride

C17H20ClN5O — CID 120960478

IUPAC3-(1-methylpiperazin-2-yl)-5-(2-methylquinolin-3-yl)-1,2,4-oxadiazole;hydrochloride
SMILESCc1nc2ccccc2cc1-c1nc(C2CNCCN2C)no1.Cl
InChIInChI=1S/C17H19N5O.ClH/c1-11-13(9-12-5-3-4-6-14(12)19-11)17-20-16(21-23-17)15-10-18-7-8-22(15)2;/h3-6,9,15,18H,7-8,10H2,1-2H3;1H
InChIKeyFNZQDFHNSKZAOF-UHFFFAOYSA-N
MW345.83 g/mol
LogP2.59
Rot. Bonds2

About 3-(1-methylpiperazin-2-yl)-5-(2-methylquinolin-3-yl)-1,2,4-oxadiazole;hydrochloride

3-(1-methylpiperazin-2-yl)-5-(2-methylquinolin-3-yl)-1,2,4-oxadiazole;hydrochloride (PubChem CID 120960478) has the molecular formula C17H20ClN5O and a molecular weight of 345.83 g/mol. Its IUPAC name is 3-(1-methylpiperazin-2-yl)-5-(2-methylquinolin-3-yl)-1,2,4-oxadiazole;hydrochloride.

Molecular Properties

Compound Name3-(1-methylpiperazin-2-yl)-5-(2-methylquinolin-3-yl)-1,2,4-oxadiazole;hydrochloride
PubChem CID120960478
Molecular FormulaC17H20ClN5O
Molecular Weight345.83 g/mol
Exact Mass345.14
IUPAC Name3-(1-methylpiperazin-2-yl)-5-(2-methylquinolin-3-yl)-1,2,4-oxadiazole;hydrochloride
SMILESCc1nc2ccccc2cc1-c1nc(C2CNCCN2C)no1.Cl
InChIInChI=1S/C17H19N5O.ClH/c1-11-13(9-12-5-3-4-6-14(12)19-11)17-20-16(21-23-17)15-10-18-7-8-22(15)2;/h3-6,9,15,18H,7-8,10H2,1-2H3;1H
InChIKeyFNZQDFHNSKZAOF-UHFFFAOYSA-N
XLogP2.59
TPSA67.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.83
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(2-methylphenyl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120959013
5-(2,3-difluorophenyl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride
CID 120956485
5-(2-bromophenyl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120960657
5-(3-methyl-1-phenylpyrazol-4-yl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride
CID 120958592
5-(3-bromo-2-methylphenyl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120960185
3-(1-methylpiperazin-2-yl)-5-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazole
CID 120957284
3-(1-methylpiperazin-2-yl)-5-(2-piperidin-1-ylphenyl)-1,2,4-oxadiazole;hydrochloride
CID 120957007
5-(4-bromo-2-methylphenyl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120957282
5-(2-iodo-5-methylphenyl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120958607
3-(1-methylpiperazin-2-yl)-5-quinolin-8-yl-1,2,4-oxadiazole
CID 120956638
5-(4-bromo-2-fluorophenyl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride
CID 120959492
5-(5-methylfuran-2-yl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride
CID 120957485

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpiperazin-2-yl)-5-(2-methylquinolin-3-yl)-1,2,4-oxadiazole;hydrochloride?
The IUPAC name of 3-(1-methylpiperazin-2-yl)-5-(2-methylquinolin-3-yl)-1,2,4-oxadiazole;hydrochloride (CID 120960478) is 3-(1-methylpiperazin-2-yl)-5-(2-methylquinolin-3-yl)-1,2,4-oxadiazole;hydrochloride.
What is the SMILES notation for 3-(1-methylpiperazin-2-yl)-5-(2-methylquinolin-3-yl)-1,2,4-oxadiazole;hydrochloride?
The canonical SMILES for 3-(1-methylpiperazin-2-yl)-5-(2-methylquinolin-3-yl)-1,2,4-oxadiazole;hydrochloride is Cc1nc2ccccc2cc1-c1nc(C2CNCCN2C)no1.Cl.
What is the InChIKey of 3-(1-methylpiperazin-2-yl)-5-(2-methylquinolin-3-yl)-1,2,4-oxadiazole;hydrochloride?
The InChIKey is FNZQDFHNSKZAOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O.ClH/c1-11-13(9-12-5-3-4-6-14(12)19-11)17-20-16(21-23-17)15-10-18-7-8-22(15)2;/h3-6,9,15,18H,7-8,10H2,1-2H3;1H.
What are the key properties of 3-(1-methylpiperazin-2-yl)-5-(2-methylquinolin-3-yl)-1,2,4-oxadiazole;hydrochloride?
3-(1-methylpiperazin-2-yl)-5-(2-methylquinolin-3-yl)-1,2,4-oxadiazole;hydrochloride has a molecular weight of 345.83 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpiperazin-2-yl)-5-(2-methylquinolin-3-yl)-1,2,4-oxadiazole;hydrochloride is sourced from PubChem (CID 120960478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).