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

C23H25N3OS — CID 146190417

IUPAC8-[2-[4-(1-benzothiophen-4-yl)piperazin-1-yl]ethyl]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cccc(CCN3CCN(c4cccc5sccc45)CC3)c2N1
InChIInChI=1S/C23H25N3OS/c27-22-8-7-17-3-1-4-18(23(17)24-22)9-11-25-12-14-26(15-13-25)20-5-2-6-21-19(20)10-16-28-21/h1-6,10,16H,7-9,11-15H2,(H,24,27)
InChIKeyKRWCPECYQWVBGP-UHFFFAOYSA-N
MW391.54 g/mol
LogP4.15
Rot. Bonds4

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

8-[2-[4-(1-benzothiophen-4-yl)piperazin-1-yl]ethyl]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 146190417) has the molecular formula C23H25N3OS and a molecular weight of 391.54 g/mol. Its IUPAC name is 8-[2-[4-(1-benzothiophen-4-yl)piperazin-1-yl]ethyl]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name8-[2-[4-(1-benzothiophen-4-yl)piperazin-1-yl]ethyl]-3,4-dihydro-1H-quinolin-2-one
PubChem CID146190417
Molecular FormulaC23H25N3OS
Molecular Weight391.54 g/mol
Exact Mass391.17
IUPAC Name8-[2-[4-(1-benzothiophen-4-yl)piperazin-1-yl]ethyl]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cccc(CCN3CCN(c4cccc5sccc45)CC3)c2N1
InChIInChI=1S/C23H25N3OS/c27-22-8-7-17-3-1-4-18(23(17)24-22)9-11-25-12-14-26(15-13-25)20-5-2-6-21-19(20)10-16-28-21/h1-6,10,16H,7-9,11-15H2,(H,24,27)
InChIKeyKRWCPECYQWVBGP-UHFFFAOYSA-N
XLogP4.15
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.54
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

7-[2-[4-(1-benzothiophen-4-yl)piperazin-1-yl]ethyl]-8-chloro-3,4-dihydro-1H-quinolin-2-one
CID 146190428
8-(2-piperazin-1-ylethyl)-3,4-dihydro-1H-quinolin-2-one
CID 117402589
N-[5-[3-[4-(1-benzothiophen-4-yl)piperazin-1-yl]propyl]-2-oxo-3,4-dihydro-1H-quinolin-8-yl]acetamide
CID 155803109
1-[4-[4-(1-benzothiophen-4-yl)piperazin-1-yl]butyl]-3,4-dihydroquinolin-2-one
CID 66884891
7-[2-[4-(1-benzothiophen-4-yl)piperazin-1-yl]ethyl]-1-methyl-3,4-dihydroquinolin-2-one
CID 138374883
7-[2-[4-(1-benzothiophen-4-yl)piperazin-1-yl]ethyl]-3,4-dihydro-1H-quinoline-2-thione
CID 129186535
2-[4-[4-(1-benzothiophen-4-yl)piperazin-1-yl]butyl]-3,4-dihydro-1H-isoquinoline
CID 69468370
2-[4-(1-benzothiophen-4-yl)piperazin-1-yl]ethanamine
CID 91076986
6-[3-[4-(1-benzothiophen-4-yl)piperazin-1-yl]propoxy]-3,4-dihydro-1H-quinolin-2-one;6-[3-[4-(1-benzothiophen-4-yl)piperazin-1-yl]propoxy]-1,2,3,4-tetrahydroquinoline;hydrochloride
CID 159964870
1-[4-[4-(1-benzothiophen-4-yl)piperazin-1-yl]butyl]azepan-2-one
CID 24880921
4-[2-[4-(1-benzothiophen-4-yl)piperazin-1-yl]ethyl]cyclohex-3-en-1-amine
CID 156734238
3-[3-[4-(1-benzothiophen-4-yl)piperazin-1-yl]propoxy]-2-methyl-3,4-dihydroisoquinolin-1-one
CID 86643441

Frequently Asked Questions

What is the IUPAC name of 8-[2-[4-(1-benzothiophen-4-yl)piperazin-1-yl]ethyl]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 8-[2-[4-(1-benzothiophen-4-yl)piperazin-1-yl]ethyl]-3,4-dihydro-1H-quinolin-2-one (CID 146190417) is 8-[2-[4-(1-benzothiophen-4-yl)piperazin-1-yl]ethyl]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 8-[2-[4-(1-benzothiophen-4-yl)piperazin-1-yl]ethyl]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 8-[2-[4-(1-benzothiophen-4-yl)piperazin-1-yl]ethyl]-3,4-dihydro-1H-quinolin-2-one is O=C1CCc2cccc(CCN3CCN(c4cccc5sccc45)CC3)c2N1.
What is the InChIKey of 8-[2-[4-(1-benzothiophen-4-yl)piperazin-1-yl]ethyl]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is KRWCPECYQWVBGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3OS/c27-22-8-7-17-3-1-4-18(23(17)24-22)9-11-25-12-14-26(15-13-25)20-5-2-6-21-19(20)10-16-28-21/h1-6,10,16H,7-9,11-15H2,(H,24,27).
What are the key properties of 8-[2-[4-(1-benzothiophen-4-yl)piperazin-1-yl]ethyl]-3,4-dihydro-1H-quinolin-2-one?
8-[2-[4-(1-benzothiophen-4-yl)piperazin-1-yl]ethyl]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 391.54 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-[4-(1-benzothiophen-4-yl)piperazin-1-yl]ethyl]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 146190417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).