3-[2-[4-(1-benzothiophen-4-yl)piperazin-1-yl]ethoxy]-1H-quinolin-2-one

C23H23N3O2S — CID 24963398

IUPAC3-[2-[4-(1-benzothiophen-4-yl)piperazin-1-yl]ethoxy]-1H-quinolin-2-one
SMILESO=c1[nH]c2ccccc2cc1OCCN1CCN(c2cccc3sccc23)CC1
InChIInChI=1S/C23H23N3O2S/c27-23-21(16-17-4-1-2-5-19(17)24-23)28-14-13-25-9-11-26(12-10-25)20-6-3-7-22-18(20)8-15-29-22/h1-8,15-16H,9-14H2,(H,24,27)
InChIKeyBOKAVZYMEBZBJT-UHFFFAOYSA-N
MW405.52 g/mol
LogP3.94
Rot. Bonds5

About 3-[2-[4-(1-benzothiophen-4-yl)piperazin-1-yl]ethoxy]-1H-quinolin-2-one

3-[2-[4-(1-benzothiophen-4-yl)piperazin-1-yl]ethoxy]-1H-quinolin-2-one (PubChem CID 24963398) has the molecular formula C23H23N3O2S and a molecular weight of 405.52 g/mol. Its IUPAC name is 3-[2-[4-(1-benzothiophen-4-yl)piperazin-1-yl]ethoxy]-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[2-[4-(1-benzothiophen-4-yl)piperazin-1-yl]ethoxy]-1H-quinolin-2-one
PubChem CID24963398
Molecular FormulaC23H23N3O2S
Molecular Weight405.52 g/mol
Exact Mass405.15
IUPAC Name3-[2-[4-(1-benzothiophen-4-yl)piperazin-1-yl]ethoxy]-1H-quinolin-2-one
SMILESO=c1[nH]c2ccccc2cc1OCCN1CCN(c2cccc3sccc23)CC1
InChIInChI=1S/C23H23N3O2S/c27-23-21(16-17-4-1-2-5-19(17)24-23)28-14-13-25-9-11-26(12-10-25)20-6-3-7-22-18(20)8-15-29-22/h1-8,15-16H,9-14H2,(H,24,27)
InChIKeyBOKAVZYMEBZBJT-UHFFFAOYSA-N
XLogP3.94
TPSA48.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.52
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[2-[4-(1-benzothiophen-4-yl)piperazin-1-yl]ethoxy]-1H-quinolin-2-one with MolForge

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Related Compounds

7-[4-[4-(1-benzothiophen-4-yl)piperazin-1-yl]butoxy]-3-methyl-1H-quinolin-2-one
CID 24968721
8-[4-[4-(1-benzothiophen-4-yl)piperazin-1-yl]butoxy]-1H-quinolin-2-one
CID 134148608
7-[4-[4-(1-benzothiophen-4-yl)piperazin-1-yl]butoxy]-1H-quinolin-2-one;sulfuric acid
CID 66885812
7-[4-[4-(1-benzothiophen-4-yl)piperazin-1-yl]-1-hydroxybutoxy]-1H-quinolin-2-one
CID 134391639
7-[4-[4-(1-benzothiophen-4-yl)piperazin-1-yl]butoxy]-1-[4-[(2-oxo-1H-quinolin-7-yl)oxy]butyl]quinolin-2-one
CID 102602660
7-[5-[4-(1-benzothiophen-4-yl)piperazin-1-yl]pentyl]-1H-quinolin-2-one
CID 126682543
2-[2-[4-(1-benzothiophen-4-yl)piperazin-1-yl]ethyl]-4H-1,4-benzoxazin-3-one
CID 129186547
2-[4-(1-benzothiophen-4-yl)piperazin-1-yl]ethanamine
CID 91076986
7-[4-[4-(1-benzothiophen-4-yl)piperazin-1-yl]butoxy]quinoline
CID 122172695
7-[4-[4-[2-(1-benzothiophen-4-yl)-1-benzothiophen-4-yl]piperazin-1-yl]butoxy]-1H-quinolin-2-one
CID 169434962
6-[3-[4-(1-benzothiophen-4-yl)piperazin-1-yl]propoxy]isoquinoline
CID 155803097
7-[4-[4-(1-benzothiophen-4-yl)piperazin-1-yl]butoxy]-1H-quinolin-2-one;cyclohexylmethylcarbamic acid
CID 71295456

Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-(1-benzothiophen-4-yl)piperazin-1-yl]ethoxy]-1H-quinolin-2-one?
The IUPAC name of 3-[2-[4-(1-benzothiophen-4-yl)piperazin-1-yl]ethoxy]-1H-quinolin-2-one (CID 24963398) is 3-[2-[4-(1-benzothiophen-4-yl)piperazin-1-yl]ethoxy]-1H-quinolin-2-one.
What is the SMILES notation for 3-[2-[4-(1-benzothiophen-4-yl)piperazin-1-yl]ethoxy]-1H-quinolin-2-one?
The canonical SMILES for 3-[2-[4-(1-benzothiophen-4-yl)piperazin-1-yl]ethoxy]-1H-quinolin-2-one is O=c1[nH]c2ccccc2cc1OCCN1CCN(c2cccc3sccc23)CC1.
What is the InChIKey of 3-[2-[4-(1-benzothiophen-4-yl)piperazin-1-yl]ethoxy]-1H-quinolin-2-one?
The InChIKey is BOKAVZYMEBZBJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O2S/c27-23-21(16-17-4-1-2-5-19(17)24-23)28-14-13-25-9-11-26(12-10-25)20-6-3-7-22-18(20)8-15-29-22/h1-8,15-16H,9-14H2,(H,24,27).
What are the key properties of 3-[2-[4-(1-benzothiophen-4-yl)piperazin-1-yl]ethoxy]-1H-quinolin-2-one?
3-[2-[4-(1-benzothiophen-4-yl)piperazin-1-yl]ethoxy]-1H-quinolin-2-one has a molecular weight of 405.52 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-(1-benzothiophen-4-yl)piperazin-1-yl]ethoxy]-1H-quinolin-2-one is sourced from PubChem (CID 24963398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).