1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)quinolin-2-one

C28H24N6O3 — CID 51369663

IUPAC1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)quinolin-2-one
SMILESO=C(Cn1c(=O)cc(-c2nc(-c3ccccn3)no2)c2ccccc21)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C28H24N6O3/c35-25-18-22(28-30-27(31-37-28)23-11-6-7-13-29-23)21-10-4-5-12-24(21)34(25)19-26(36)33-16-14-32(15-17-33)20-8-2-1-3-9-20/h1-13,18H,14-17,19H2
InChIKeyPOQWTKPUPOPYCK-UHFFFAOYSA-N
MW492.54 g/mol
LogP3.46
Rot. Bonds5

About 1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)quinolin-2-one

1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)quinolin-2-one (PubChem CID 51369663) has the molecular formula C28H24N6O3 and a molecular weight of 492.54 g/mol. Its IUPAC name is 1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)quinolin-2-one.

Molecular Properties

Compound Name1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)quinolin-2-one
PubChem CID51369663
Molecular FormulaC28H24N6O3
Molecular Weight492.54 g/mol
Exact Mass492.19
IUPAC Name1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)quinolin-2-one
SMILESO=C(Cn1c(=O)cc(-c2nc(-c3ccccn3)no2)c2ccccc21)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C28H24N6O3/c35-25-18-22(28-30-27(31-37-28)23-11-6-7-13-29-23)21-10-4-5-12-24(21)34(25)19-26(36)33-16-14-32(15-17-33)20-8-2-1-3-9-20/h1-13,18H,14-17,19H2
InChIKeyPOQWTKPUPOPYCK-UHFFFAOYSA-N
XLogP3.46
TPSA97.36 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.54
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Launch Full Analysis

Related Compounds

ethyl 2-[[2-[2-oxo-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)quinolin-1-yl]acetyl]amino]acetate
CID 51369703
N-[(2-methylphenyl)methyl]-2-[2-oxo-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)quinolin-1-yl]acetamide
CID 51369675
N-(1,3-benzodioxol-5-yl)-2-[2-oxo-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)quinolin-1-yl]acetamide
CID 51369634
N-(2-fluoro-4-methylphenyl)-2-[2-oxo-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)quinolin-1-yl]acetamide
CID 51369651
1-ethyl-4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]quinolin-2-one
CID 20861922
4-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)quinolin-2-one
CID 39768041
3-[2-oxo-2-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethyl]-5-phenyl-1,3,4-oxadiazol-2-one
CID 154833813
2-(2-ethylsulfonylbenzimidazol-1-yl)-1-(4-phenylpiperazin-1-yl)ethanone
CID 18576772
1-propyl-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)quinolin-4-one
CID 53087001
10-[2-oxo-2-[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]ethyl]acridin-9-one
CID 37249746
1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-3-(2-phenylethyl)pyrido[3,2-d]pyrimidine-2,4-dione
CID 27558243
2-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-oxoquinolin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 53143817

Frequently Asked Questions

What is the IUPAC name of 1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)quinolin-2-one?
The IUPAC name of 1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)quinolin-2-one (CID 51369663) is 1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)quinolin-2-one.
What is the SMILES notation for 1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)quinolin-2-one?
The canonical SMILES for 1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)quinolin-2-one is O=C(Cn1c(=O)cc(-c2nc(-c3ccccn3)no2)c2ccccc21)N1CCN(c2ccccc2)CC1.
What is the InChIKey of 1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)quinolin-2-one?
The InChIKey is POQWTKPUPOPYCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N6O3/c35-25-18-22(28-30-27(31-37-28)23-11-6-7-13-29-23)21-10-4-5-12-24(21)34(25)19-26(36)33-16-14-32(15-17-33)20-8-2-1-3-9-20/h1-13,18H,14-17,19H2.
What are the key properties of 1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)quinolin-2-one?
1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)quinolin-2-one has a molecular weight of 492.54 g/mol, XLogP of 3.46, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)quinolin-2-one is sourced from PubChem (CID 51369663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).