7-[5-[4-(1-benzothiophen-4-yl)piperazin-1-yl]pentyl]-1H-quinolin-2-one

C26H29N3OS — CID 126682543

IUPAC7-[5-[4-(1-benzothiophen-4-yl)piperazin-1-yl]pentyl]-1H-quinolin-2-one
SMILESO=c1ccc2ccc(CCCCCN3CCN(c4cccc5sccc45)CC3)cc2[nH]1
InChIInChI=1S/C26H29N3OS/c30-26-11-10-21-9-8-20(19-23(21)27-26)5-2-1-3-13-28-14-16-29(17-15-28)24-6-4-7-25-22(24)12-18-31-25/h4,6-12,18-19H,1-3,5,13-17H2,(H,27,30)
InChIKeyFFIQSCOADWZDLK-UHFFFAOYSA-N
MW431.61 g/mol
LogP5.28
Rot. Bonds7

About 7-[5-[4-(1-benzothiophen-4-yl)piperazin-1-yl]pentyl]-1H-quinolin-2-one

7-[5-[4-(1-benzothiophen-4-yl)piperazin-1-yl]pentyl]-1H-quinolin-2-one (PubChem CID 126682543) has the molecular formula C26H29N3OS and a molecular weight of 431.61 g/mol. Its IUPAC name is 7-[5-[4-(1-benzothiophen-4-yl)piperazin-1-yl]pentyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name7-[5-[4-(1-benzothiophen-4-yl)piperazin-1-yl]pentyl]-1H-quinolin-2-one
PubChem CID126682543
Molecular FormulaC26H29N3OS
Molecular Weight431.61 g/mol
Exact Mass431.20
IUPAC Name7-[5-[4-(1-benzothiophen-4-yl)piperazin-1-yl]pentyl]-1H-quinolin-2-one
SMILESO=c1ccc2ccc(CCCCCN3CCN(c4cccc5sccc45)CC3)cc2[nH]1
InChIInChI=1S/C26H29N3OS/c30-26-11-10-21-9-8-20(19-23(21)27-26)5-2-1-3-13-28-14-16-29(17-15-28)24-6-4-7-25-22(24)12-18-31-25/h4,6-12,18-19H,1-3,5,13-17H2,(H,27,30)
InChIKeyFFIQSCOADWZDLK-UHFFFAOYSA-N
XLogP5.28
TPSA39.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.61
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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]-1H-quinolin-2-one;sulfuric acid
CID 66885812
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]-1-[4-[(2-oxo-1H-quinolin-7-yl)oxy]butyl]quinolin-2-one
CID 102602660
7-[4-[4-(1-benzothiophen-4-yl)piperazin-1-yl]butoxy]-1H-quinolin-2-one;(2R,3S)-3-formyloxy-2,3-dihydroxypropanoic acid
CID 161471650
7-[4-[4-[2-(1-benzothiophen-4-yl)-1-benzothiophen-4-yl]piperazin-1-yl]butoxy]-1H-quinolin-2-one
CID 169434962
7-[4-[4-(1-benzothiophen-4-yl)piperazin-1-yl]butoxy]-1H-quinolin-2-one;cyclohexylmethylcarbamic acid
CID 71295456
7-[4-[4-(1-benzothiophen-4-yl)piperazin-1-yl]butoxy]-3-methyl-1H-quinolin-2-one
CID 24968721
1-[4-[4-(1-benzothiophen-4-yl)piperazin-1-yl]butyl]azepan-2-one
CID 24880921
7-[4-[4-(1-benzothiophen-4-yl)piperazin-1-yl]butoxy]-1-[1,1,2,2,3,3,4,4-octadeuterio-4-[(2-oxo-1H-quinolin-7-yl)oxy]butyl]quinolin-2-one
CID 171381227
2-[4-[4-(1-benzothiophen-4-yl)piperazin-1-yl]butyl]-2-azaspiro[4.4]nonan-1-one
CID 90793426
1-(1-benzothiophen-4-yl)-2,2,3,3,5,5,6,6-octadeuteriopiperazine;7-[4-[4-(1-benzothiophen-4-yl)-2,2,3,3,5,5,6,6-octadeuteriopiperazin-1-yl]butoxy]-1H-quinolin-2-one;7-(4-chlorobutoxy)-1H-quinolin-2-one;methane
CID 160792277

Frequently Asked Questions

What is the IUPAC name of 7-[5-[4-(1-benzothiophen-4-yl)piperazin-1-yl]pentyl]-1H-quinolin-2-one?
The IUPAC name of 7-[5-[4-(1-benzothiophen-4-yl)piperazin-1-yl]pentyl]-1H-quinolin-2-one (CID 126682543) is 7-[5-[4-(1-benzothiophen-4-yl)piperazin-1-yl]pentyl]-1H-quinolin-2-one.
What is the SMILES notation for 7-[5-[4-(1-benzothiophen-4-yl)piperazin-1-yl]pentyl]-1H-quinolin-2-one?
The canonical SMILES for 7-[5-[4-(1-benzothiophen-4-yl)piperazin-1-yl]pentyl]-1H-quinolin-2-one is O=c1ccc2ccc(CCCCCN3CCN(c4cccc5sccc45)CC3)cc2[nH]1.
What is the InChIKey of 7-[5-[4-(1-benzothiophen-4-yl)piperazin-1-yl]pentyl]-1H-quinolin-2-one?
The InChIKey is FFIQSCOADWZDLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3OS/c30-26-11-10-21-9-8-20(19-23(21)27-26)5-2-1-3-13-28-14-16-29(17-15-28)24-6-4-7-25-22(24)12-18-31-25/h4,6-12,18-19H,1-3,5,13-17H2,(H,27,30).
What are the key properties of 7-[5-[4-(1-benzothiophen-4-yl)piperazin-1-yl]pentyl]-1H-quinolin-2-one?
7-[5-[4-(1-benzothiophen-4-yl)piperazin-1-yl]pentyl]-1H-quinolin-2-one has a molecular weight of 431.61 g/mol, XLogP of 5.28, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[5-[4-(1-benzothiophen-4-yl)piperazin-1-yl]pentyl]-1H-quinolin-2-one is sourced from PubChem (CID 126682543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).