1-ethyl-4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]quinolin-2-one

C23H25N3O3 — CID 20861922

IUPAC1-ethyl-4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]quinolin-2-one
SMILESCCn1c(=O)cc(OCC(=O)N2CCN(c3ccccc3)CC2)c2ccccc21
InChIInChI=1S/C23H25N3O3/c1-2-26-20-11-7-6-10-19(20)21(16-22(26)27)29-17-23(28)25-14-12-24(13-15-25)18-8-4-3-5-9-18/h3-11,16H,2,12-15,17H2,1H3
InChIKeyCHPKTKZVYLIUAJ-UHFFFAOYSA-N
MW391.47 g/mol
LogP2.75
Rot. Bonds5

About 1-ethyl-4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]quinolin-2-one

1-ethyl-4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]quinolin-2-one (PubChem CID 20861922) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is 1-ethyl-4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]quinolin-2-one.

Molecular Properties

Compound Name1-ethyl-4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]quinolin-2-one
PubChem CID20861922
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC Name1-ethyl-4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]quinolin-2-one
SMILESCCn1c(=O)cc(OCC(=O)N2CCN(c3ccccc3)CC2)c2ccccc21
InChIInChI=1S/C23H25N3O3/c1-2-26-20-11-7-6-10-19(20)21(16-22(26)27)29-17-23(28)25-14-12-24(13-15-25)18-8-4-3-5-9-18/h3-11,16H,2,12-15,17H2,1H3
InChIKeyCHPKTKZVYLIUAJ-UHFFFAOYSA-N
XLogP2.75
TPSA54.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-4-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]quinolin-2-one
CID 6622311
2-(2-methoxyphenoxy)-1-(4-phenylpiperazin-1-yl)ethanone
CID 823385
1-ethyl-4-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]sulfanylquinolin-2-one
CID 20864364
N-benzyl-2-(1-ethyl-2-oxoquinolin-4-yl)oxy-N-methylacetamide
CID 20861918
1-(4-phenylpiperazin-1-yl)-2-(2,4,6-trimethylphenoxy)ethanone
CID 2709723
ethyl 1-(4-methylphenyl)-6-oxo-4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]pyridazine-3-carboxylate
CID 18579849
2-(2,4-difluorophenoxy)-1-(4-phenylpiperazin-1-yl)ethanone
CID 17193919
2-(2-methoxyphenoxy)-1-[4-(4-pyrrolidin-1-ylphenyl)piperazin-1-yl]ethanone
CID 113078931
3,4,8-trimethyl-7-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]chromen-2-one
CID 4898370
2-(3-methoxyphenoxy)-1-(4-phenylpiperazin-1-yl)ethanone
CID 56698277
4-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethoxy]-1-methylquinolin-2-one
CID 3244800
N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-2-(1-ethyl-2-oxoquinolin-4-yl)oxyacetamide
CID 129419658

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]quinolin-2-one?
The IUPAC name of 1-ethyl-4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]quinolin-2-one (CID 20861922) is 1-ethyl-4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]quinolin-2-one.
What is the SMILES notation for 1-ethyl-4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]quinolin-2-one?
The canonical SMILES for 1-ethyl-4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]quinolin-2-one is CCn1c(=O)cc(OCC(=O)N2CCN(c3ccccc3)CC2)c2ccccc21.
What is the InChIKey of 1-ethyl-4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]quinolin-2-one?
The InChIKey is CHPKTKZVYLIUAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-2-26-20-11-7-6-10-19(20)21(16-22(26)27)29-17-23(28)25-14-12-24(13-15-25)18-8-4-3-5-9-18/h3-11,16H,2,12-15,17H2,1H3.
What are the key properties of 1-ethyl-4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]quinolin-2-one?
1-ethyl-4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]quinolin-2-one has a molecular weight of 391.47 g/mol, XLogP of 2.75, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]quinolin-2-one is sourced from PubChem (CID 20861922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).