8-[3-[4-(1-benzothiophen-4-yl)piperazin-1-yl]propoxy]-5-hydroxy-3,4-dihydro-1H-quinolin-2-one

C24H27N3O3S — CID 122172713

IUPAC8-[3-[4-(1-benzothiophen-4-yl)piperazin-1-yl]propoxy]-5-hydroxy-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2c(O)ccc(OCCCN3CCN(c4cccc5sccc45)CC3)c2N1
InChIInChI=1S/C24H27N3O3S/c28-20-6-7-21(24-18(20)5-8-23(29)25-24)30-15-2-10-26-11-13-27(14-12-26)19-3-1-4-22-17(19)9-16-31-22/h1,3-4,6-7,9,16,28H,2,5,8,10-15H2,(H,25,29)
InChIKeyVEWLDOIUSVOMEI-UHFFFAOYSA-N
MW437.57 g/mol
LogP4.08
Rot. Bonds6

About 8-[3-[4-(1-benzothiophen-4-yl)piperazin-1-yl]propoxy]-5-hydroxy-3,4-dihydro-1H-quinolin-2-one

8-[3-[4-(1-benzothiophen-4-yl)piperazin-1-yl]propoxy]-5-hydroxy-3,4-dihydro-1H-quinolin-2-one (PubChem CID 122172713) has the molecular formula C24H27N3O3S and a molecular weight of 437.57 g/mol. Its IUPAC name is 8-[3-[4-(1-benzothiophen-4-yl)piperazin-1-yl]propoxy]-5-hydroxy-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name8-[3-[4-(1-benzothiophen-4-yl)piperazin-1-yl]propoxy]-5-hydroxy-3,4-dihydro-1H-quinolin-2-one
PubChem CID122172713
Molecular FormulaC24H27N3O3S
Molecular Weight437.57 g/mol
Exact Mass437.18
IUPAC Name8-[3-[4-(1-benzothiophen-4-yl)piperazin-1-yl]propoxy]-5-hydroxy-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2c(O)ccc(OCCCN3CCN(c4cccc5sccc45)CC3)c2N1
InChIInChI=1S/C24H27N3O3S/c28-20-6-7-21(24-18(20)5-8-23(29)25-24)30-15-2-10-26-11-13-27(14-12-26)19-3-1-4-22-17(19)9-16-31-22/h1,3-4,6-7,9,16,28H,2,5,8,10-15H2,(H,25,29)
InChIKeyVEWLDOIUSVOMEI-UHFFFAOYSA-N
XLogP4.08
TPSA65.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.57
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 8-[3-[4-(1-benzothiophen-4-yl)piperazin-1-yl]propoxy]-5-hydroxy-3,4-dihydro-1H-quinolin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-[4-(4-benzo[b]thiophen-4-yl-piperazin-1-yl)butoxy]-3,4-dihydro-1H-quinolin-2-one
CID 11857245
7-[3-[4-(1-benzothiophen-4-yl)piperazin-1-yl]propoxy]-3,4-dihydro-1H-quinolin-2-one
CID 11978815
7-[(E)-4-[4-(1-benzothiophen-4-yl)piperazin-1-yl]but-2-enoxy]-3,4-dihydro-1H-quinolin-2-one
CID 24968726
7-[4-[4-(1-benzothiophen-4-yl)piperazin-1-yl]butoxy]-4-methyl-3,4-dihydro-1H-quinolin-2-one
CID 66885300
7-[4-[4-(1-benzothiophen-4-yl)-2-methylpiperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one
CID 122172690
7-[3-[4-(1-benzothiophen-4-yl)piperazin-1-yl]propoxy]-6-(hydroxymethyl)-3,4-dihydro-1H-quinolin-2-one
CID 122172706
7-[4-[4-(1-Benzothiophen-4-yl)piperazin-1-yl]butoxy]-1-methyl-3,4-dihydroquinolin-2-one
CID 11978816
6-[3-(4-benzo[b]thiophen-4-yl-piperazin-1-yl)propoxy]-3,4-dihydro-1H-quinolin-2-one
CID 11978817
7-[(Z)-4-[4-(1-benzothiophen-4-yl)piperazin-1-yl]but-2-enoxy]-3,4-dihydro-1H-quinolin-2-one
CID 24968724
7-[4-(4-benzo[b]thiophen-4-yl-piperazin-1-yl)-3-methylbutoxy]-3,4-dihydro-1H-quinolin-2-one
CID 24968725
7-{2-[2-(4-benzo[b]thiophen-4-yl-piperazin-1-yl)ethoxy]ethoxy}-3,4-dihydro-1H-quinolin-2-one
CID 66885287
6-[4-[4-(1-benzothiophen-4-yl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one
CID 66886115

Frequently Asked Questions

What is the IUPAC name of 8-[3-[4-(1-benzothiophen-4-yl)piperazin-1-yl]propoxy]-5-hydroxy-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 8-[3-[4-(1-benzothiophen-4-yl)piperazin-1-yl]propoxy]-5-hydroxy-3,4-dihydro-1H-quinolin-2-one (CID 122172713) is 8-[3-[4-(1-benzothiophen-4-yl)piperazin-1-yl]propoxy]-5-hydroxy-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 8-[3-[4-(1-benzothiophen-4-yl)piperazin-1-yl]propoxy]-5-hydroxy-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 8-[3-[4-(1-benzothiophen-4-yl)piperazin-1-yl]propoxy]-5-hydroxy-3,4-dihydro-1H-quinolin-2-one is O=C1CCc2c(O)ccc(OCCCN3CCN(c4cccc5sccc45)CC3)c2N1.
What is the InChIKey of 8-[3-[4-(1-benzothiophen-4-yl)piperazin-1-yl]propoxy]-5-hydroxy-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is VEWLDOIUSVOMEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O3S/c28-20-6-7-21(24-18(20)5-8-23(29)25-24)30-15-2-10-26-11-13-27(14-12-26)19-3-1-4-22-17(19)9-16-31-22/h1,3-4,6-7,9,16,28H,2,5,8,10-15H2,(H,25,29).
What are the key properties of 8-[3-[4-(1-benzothiophen-4-yl)piperazin-1-yl]propoxy]-5-hydroxy-3,4-dihydro-1H-quinolin-2-one?
8-[3-[4-(1-benzothiophen-4-yl)piperazin-1-yl]propoxy]-5-hydroxy-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 437.57 g/mol, XLogP of 4.08, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3-[4-(1-benzothiophen-4-yl)piperazin-1-yl]propoxy]-5-hydroxy-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 122172713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).