1-[2-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]cinnolin-4-one;hydrochloride

C17H21ClN6O2 — CID 120956611

IUPAC1-[2-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]cinnolin-4-one;hydrochloride
SMILESCN1CCNCC1c1noc(CCn2ncc(=O)c3ccccc32)n1.Cl
InChIInChI=1S/C17H20N6O2.ClH/c1-22-9-7-18-10-14(22)17-20-16(25-21-17)6-8-23-13-5-3-2-4-12(13)15(24)11-19-23;/h2-5,11,14,18H,6-10H2,1H3;1H
InChIKeyRJZMUZGITQDMJG-UHFFFAOYSA-N
MW376.85 g/mol
LogP1.02
Rot. Bonds4

About 1-[2-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]cinnolin-4-one;hydrochloride

1-[2-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]cinnolin-4-one;hydrochloride (PubChem CID 120956611) has the molecular formula C17H21ClN6O2 and a molecular weight of 376.85 g/mol. Its IUPAC name is 1-[2-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]cinnolin-4-one;hydrochloride.

Molecular Properties

Compound Name1-[2-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]cinnolin-4-one;hydrochloride
PubChem CID120956611
Molecular FormulaC17H21ClN6O2
Molecular Weight376.85 g/mol
Exact Mass376.14
IUPAC Name1-[2-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]cinnolin-4-one;hydrochloride
SMILESCN1CCNCC1c1noc(CCn2ncc(=O)c3ccccc32)n1.Cl
InChIInChI=1S/C17H20N6O2.ClH/c1-22-9-7-18-10-14(22)17-20-16(25-21-17)6-8-23-13-5-3-2-4-12(13)15(24)11-19-23;/h2-5,11,14,18H,6-10H2,1H3;1H
InChIKeyRJZMUZGITQDMJG-UHFFFAOYSA-N
XLogP1.02
TPSA89.08 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.85
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

5-[2-(2,3-difluorophenyl)ethyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride
CID 120959984
3-[2-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]thieno[2,3-d]pyrimidin-4-one;hydrochloride
CID 120959512
3-(1-methylpiperazin-2-yl)-5-(2-naphthalen-2-ylethyl)-1,2,4-oxadiazole;hydrochloride
CID 120957131
3-(1-methylpiperazin-2-yl)-5-[2-(5-phenyl-1,3-oxazol-2-yl)ethyl]-1,2,4-oxadiazole
CID 120960405
5-[(2,6-dichlorophenoxy)methyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride
CID 120959616
5-[(2-chlorophenyl)methyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride
CID 120960648
5-[2-(2-chlorophenoxy)ethyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120961071
5-[2-(1-benzofuran-2-yl)ethyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120961157
5-[(2-ethylphenoxy)methyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120960641
N-[[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]methyl]benzamide;hydrochloride
CID 120956861
3-(1-methylpiperazin-2-yl)-5-(2-thiophen-3-ylethyl)-1,2,4-oxadiazole;hydrochloride
CID 120958159
5-(2-ethoxyethyl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride
CID 120960102

Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]cinnolin-4-one;hydrochloride?
The IUPAC name of 1-[2-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]cinnolin-4-one;hydrochloride (CID 120956611) is 1-[2-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]cinnolin-4-one;hydrochloride.
What is the SMILES notation for 1-[2-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]cinnolin-4-one;hydrochloride?
The canonical SMILES for 1-[2-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]cinnolin-4-one;hydrochloride is CN1CCNCC1c1noc(CCn2ncc(=O)c3ccccc32)n1.Cl.
What is the InChIKey of 1-[2-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]cinnolin-4-one;hydrochloride?
The InChIKey is RJZMUZGITQDMJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O2.ClH/c1-22-9-7-18-10-14(22)17-20-16(25-21-17)6-8-23-13-5-3-2-4-12(13)15(24)11-19-23;/h2-5,11,14,18H,6-10H2,1H3;1H.
What are the key properties of 1-[2-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]cinnolin-4-one;hydrochloride?
1-[2-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]cinnolin-4-one;hydrochloride has a molecular weight of 376.85 g/mol, XLogP of 1.02, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]cinnolin-4-one;hydrochloride is sourced from PubChem (CID 120956611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).