1-[4-[3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-yl]piperazin-1-yl]-2-(3-methylphenoxy)ethanone

C25H25N5O3 — CID 50748626

IUPAC1-[4-[3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-yl]piperazin-1-yl]-2-(3-methylphenoxy)ethanone
SMILESCc1cccc(OCC(=O)N2CCN(c3nc4ccccc4cc3-c3noc(C)n3)CC2)c1
InChIInChI=1S/C25H25N5O3/c1-17-6-5-8-20(14-17)32-16-23(31)29-10-12-30(13-11-29)25-21(24-26-18(2)33-28-24)15-19-7-3-4-9-22(19)27-25/h3-9,14-15H,10-13,16H2,1-2H3
InChIKeyGUNCICIUVFFQKY-UHFFFAOYSA-N
MW443.51 g/mol
LogP3.63
Rot. Bonds5

About 1-[4-[3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-yl]piperazin-1-yl]-2-(3-methylphenoxy)ethanone

1-[4-[3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-yl]piperazin-1-yl]-2-(3-methylphenoxy)ethanone (PubChem CID 50748626) has the molecular formula C25H25N5O3 and a molecular weight of 443.51 g/mol. Its IUPAC name is 1-[4-[3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-yl]piperazin-1-yl]-2-(3-methylphenoxy)ethanone.

Molecular Properties

Compound Name1-[4-[3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-yl]piperazin-1-yl]-2-(3-methylphenoxy)ethanone
PubChem CID50748626
Molecular FormulaC25H25N5O3
Molecular Weight443.51 g/mol
Exact Mass443.20
IUPAC Name1-[4-[3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-yl]piperazin-1-yl]-2-(3-methylphenoxy)ethanone
SMILESCc1cccc(OCC(=O)N2CCN(c3nc4ccccc4cc3-c3noc(C)n3)CC2)c1
InChIInChI=1S/C25H25N5O3/c1-17-6-5-8-20(14-17)32-16-23(31)29-10-12-30(13-11-29)25-21(24-26-18(2)33-28-24)15-19-7-3-4-9-22(19)27-25/h3-9,14-15H,10-13,16H2,1-2H3
InChIKeyGUNCICIUVFFQKY-UHFFFAOYSA-N
XLogP3.63
TPSA84.59 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.51
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-[4-[3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-yl]piperazin-1-yl]-2-(3-methylphenoxy)ethanone with MolForge

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Related Compounds

5-methyl-3-[2-(4-phenylpiperazin-1-yl)quinolin-3-yl]-1,2,4-oxadiazole
CID 50748686
2-(3,4-dimethylphenoxy)-1-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]ethanone
CID 108763865
1-[4-(6-methoxypyridazin-3-yl)piperazin-1-yl]-2-(3-methylphenoxy)ethanone
CID 16883365
1-(4-ethylpiperazin-1-yl)-2-(3-methylphenoxy)ethanone
CID 4636229
ethyl 4-[2-(3-methylphenoxy)acetyl]piperazine-1-carboxylate
CID 892980
2-(3-methylphenoxy)-1-[4-(6-pyridin-2-ylpyridazin-3-yl)piperazin-1-yl]ethanone
CID 121058835
tert-butyl 4-[2-(3-methylphenoxy)acetyl]piperazine-1-carboxylate
CID 110673124
4-[4-[2-(3-methylphenoxy)acetyl]piperazine-1-carbonyl]benzoic acid
CID 2050329
1-[4-(furan-3-carbonyl)piperazin-1-yl]-2-(3-methylphenoxy)ethanone
CID 32531171
1-[4-[7-(2-methoxyphenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-yl]piperazin-1-yl]-2-(3-methylphenoxy)ethanone
CID 16647148
4-[4-[2-(3-methylphenoxy)acetyl]piperazin-1-yl]-4-oxobutanoic acid
CID 2050307
1-[4-[2-(3-methylphenoxy)acetyl]-1,4-diazepan-1-yl]propan-1-one
CID 110796496

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-yl]piperazin-1-yl]-2-(3-methylphenoxy)ethanone?
The IUPAC name of 1-[4-[3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-yl]piperazin-1-yl]-2-(3-methylphenoxy)ethanone (CID 50748626) is 1-[4-[3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-yl]piperazin-1-yl]-2-(3-methylphenoxy)ethanone.
What is the SMILES notation for 1-[4-[3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-yl]piperazin-1-yl]-2-(3-methylphenoxy)ethanone?
The canonical SMILES for 1-[4-[3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-yl]piperazin-1-yl]-2-(3-methylphenoxy)ethanone is Cc1cccc(OCC(=O)N2CCN(c3nc4ccccc4cc3-c3noc(C)n3)CC2)c1.
What is the InChIKey of 1-[4-[3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-yl]piperazin-1-yl]-2-(3-methylphenoxy)ethanone?
The InChIKey is GUNCICIUVFFQKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O3/c1-17-6-5-8-20(14-17)32-16-23(31)29-10-12-30(13-11-29)25-21(24-26-18(2)33-28-24)15-19-7-3-4-9-22(19)27-25/h3-9,14-15H,10-13,16H2,1-2H3.
What are the key properties of 1-[4-[3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-yl]piperazin-1-yl]-2-(3-methylphenoxy)ethanone?
1-[4-[3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-yl]piperazin-1-yl]-2-(3-methylphenoxy)ethanone has a molecular weight of 443.51 g/mol, XLogP of 3.63, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-yl]piperazin-1-yl]-2-(3-methylphenoxy)ethanone is sourced from PubChem (CID 50748626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).