1-ethyl-4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]sulfanylquinolin-2-one

C24H27N3O3S — CID 3237294

IUPAC1-ethyl-4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]sulfanylquinolin-2-one
SMILESCCn1c(=O)cc(SCC(=O)N2CCN(c3ccccc3OC)CC2)c2ccccc21
InChIInChI=1S/C24H27N3O3S/c1-3-27-19-9-5-4-8-18(19)22(16-23(27)28)31-17-24(29)26-14-12-25(13-15-26)20-10-6-7-11-21(20)30-2/h4-11,16H,3,12-15,17H2,1-2H3
InChIKeyQZGDKQCKJCCSDF-UHFFFAOYSA-N
MW437.57 g/mol
LogP3.47
Rot. Bonds6

About 1-ethyl-4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]sulfanylquinolin-2-one

1-ethyl-4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]sulfanylquinolin-2-one (PubChem CID 3237294) has the molecular formula C24H27N3O3S and a molecular weight of 437.57 g/mol. Its IUPAC name is 1-ethyl-4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]sulfanylquinolin-2-one.

Molecular Properties

Compound Name1-ethyl-4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]sulfanylquinolin-2-one
PubChem CID3237294
Molecular FormulaC24H27N3O3S
Molecular Weight437.57 g/mol
Exact Mass437.18
IUPAC Name1-ethyl-4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]sulfanylquinolin-2-one
SMILESCCn1c(=O)cc(SCC(=O)N2CCN(c3ccccc3OC)CC2)c2ccccc21
InChIInChI=1S/C24H27N3O3S/c1-3-27-19-9-5-4-8-18(19)22(16-23(27)28)31-17-24(29)26-14-12-25(13-15-26)20-10-6-7-11-21(20)30-2/h4-11,16H,3,12-15,17H2,1-2H3
InChIKeyQZGDKQCKJCCSDF-UHFFFAOYSA-N
XLogP3.47
TPSA54.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.57
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]sulfanylquinolin-2-one?
The IUPAC name of 1-ethyl-4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]sulfanylquinolin-2-one (CID 3237294) is 1-ethyl-4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]sulfanylquinolin-2-one.
What is the SMILES notation for 1-ethyl-4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]sulfanylquinolin-2-one?
The canonical SMILES for 1-ethyl-4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]sulfanylquinolin-2-one is CCn1c(=O)cc(SCC(=O)N2CCN(c3ccccc3OC)CC2)c2ccccc21.
What is the InChIKey of 1-ethyl-4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]sulfanylquinolin-2-one?
The InChIKey is QZGDKQCKJCCSDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O3S/c1-3-27-19-9-5-4-8-18(19)22(16-23(27)28)31-17-24(29)26-14-12-25(13-15-26)20-10-6-7-11-21(20)30-2/h4-11,16H,3,12-15,17H2,1-2H3.
What are the key properties of 1-ethyl-4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]sulfanylquinolin-2-one?
1-ethyl-4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]sulfanylquinolin-2-one has a molecular weight of 437.57 g/mol, XLogP of 3.47, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]sulfanylquinolin-2-one is sourced from PubChem (CID 3237294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).