7-[2-[4-(1-benzothiophen-4-yl)piperazin-1-yl]ethyl]-8-chloro-3,4-dihydro-1H-quinolin-2-one

C23H24ClN3OS — CID 146190428

IUPAC7-[2-[4-(1-benzothiophen-4-yl)piperazin-1-yl]ethyl]-8-chloro-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2ccc(CCN3CCN(c4cccc5sccc45)CC3)c(Cl)c2N1
InChIInChI=1S/C23H24ClN3OS/c24-22-16(4-5-17-6-7-21(28)25-23(17)22)8-10-26-11-13-27(14-12-26)19-2-1-3-20-18(19)9-15-29-20/h1-5,9,15H,6-8,10-14H2,(H,25,28)
InChIKeyZRIMARGRXZOGSE-UHFFFAOYSA-N
MW425.99 g/mol
LogP4.80
Rot. Bonds4

About 7-[2-[4-(1-benzothiophen-4-yl)piperazin-1-yl]ethyl]-8-chloro-3,4-dihydro-1H-quinolin-2-one

7-[2-[4-(1-benzothiophen-4-yl)piperazin-1-yl]ethyl]-8-chloro-3,4-dihydro-1H-quinolin-2-one (PubChem CID 146190428) has the molecular formula C23H24ClN3OS and a molecular weight of 425.99 g/mol. Its IUPAC name is 7-[2-[4-(1-benzothiophen-4-yl)piperazin-1-yl]ethyl]-8-chloro-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name7-[2-[4-(1-benzothiophen-4-yl)piperazin-1-yl]ethyl]-8-chloro-3,4-dihydro-1H-quinolin-2-one
PubChem CID146190428
Molecular FormulaC23H24ClN3OS
Molecular Weight425.99 g/mol
Exact Mass425.13
IUPAC Name7-[2-[4-(1-benzothiophen-4-yl)piperazin-1-yl]ethyl]-8-chloro-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2ccc(CCN3CCN(c4cccc5sccc45)CC3)c(Cl)c2N1
InChIInChI=1S/C23H24ClN3OS/c24-22-16(4-5-17-6-7-21(28)25-23(17)22)8-10-26-11-13-27(14-12-26)19-2-1-3-20-18(19)9-15-29-20/h1-5,9,15H,6-8,10-14H2,(H,25,28)
InChIKeyZRIMARGRXZOGSE-UHFFFAOYSA-N
XLogP4.80
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.99
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 7-[2-[4-(1-benzothiophen-4-yl)piperazin-1-yl]ethyl]-8-chloro-3,4-dihydro-1H-quinolin-2-one with MolForge

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Related Compounds

8-[2-[4-(1-benzothiophen-4-yl)piperazin-1-yl]ethyl]-3,4-dihydro-1H-quinolin-2-one
CID 146190417
N-[5-[3-[4-(1-benzothiophen-4-yl)piperazin-1-yl]propyl]-2-oxo-3,4-dihydro-1H-quinolin-8-yl]acetamide
CID 155803109
7-[2-[4-(1-benzothiophen-4-yl)piperazin-1-yl]ethyl]-3,4-dihydro-1H-quinoline-2-thione
CID 129186535
7-[2-[4-(1-benzothiophen-4-yl)piperazin-1-yl]ethyl]-1-methyl-3,4-dihydroquinolin-2-one
CID 138374883
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
2-[4-(1-benzothiophen-4-yl)piperazin-1-yl]ethanamine
CID 91076986
1-[4-[4-(1-benzothiophen-4-yl)piperazin-1-yl]butyl]-3,4-dihydroquinolin-2-one
CID 66884891
2-[4-[4-(1-benzothiophen-4-yl)piperazin-1-yl]butyl]-3,4-dihydro-1H-isoquinoline
CID 69468370
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
2-[4-[4-(1-benzothiophen-4-yl)piperazin-1-yl]butyl]-2-azaspiro[4.4]nonan-1-one
CID 90793426
8-(2-piperazin-1-ylethyl)-3,4-dihydro-1H-quinolin-2-one
CID 117402589

Frequently Asked Questions

What is the IUPAC name of 7-[2-[4-(1-benzothiophen-4-yl)piperazin-1-yl]ethyl]-8-chloro-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 7-[2-[4-(1-benzothiophen-4-yl)piperazin-1-yl]ethyl]-8-chloro-3,4-dihydro-1H-quinolin-2-one (CID 146190428) is 7-[2-[4-(1-benzothiophen-4-yl)piperazin-1-yl]ethyl]-8-chloro-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 7-[2-[4-(1-benzothiophen-4-yl)piperazin-1-yl]ethyl]-8-chloro-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 7-[2-[4-(1-benzothiophen-4-yl)piperazin-1-yl]ethyl]-8-chloro-3,4-dihydro-1H-quinolin-2-one is O=C1CCc2ccc(CCN3CCN(c4cccc5sccc45)CC3)c(Cl)c2N1.
What is the InChIKey of 7-[2-[4-(1-benzothiophen-4-yl)piperazin-1-yl]ethyl]-8-chloro-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is ZRIMARGRXZOGSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN3OS/c24-22-16(4-5-17-6-7-21(28)25-23(17)22)8-10-26-11-13-27(14-12-26)19-2-1-3-20-18(19)9-15-29-20/h1-5,9,15H,6-8,10-14H2,(H,25,28).
What are the key properties of 7-[2-[4-(1-benzothiophen-4-yl)piperazin-1-yl]ethyl]-8-chloro-3,4-dihydro-1H-quinolin-2-one?
7-[2-[4-(1-benzothiophen-4-yl)piperazin-1-yl]ethyl]-8-chloro-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 425.99 g/mol, XLogP of 4.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-[4-(1-benzothiophen-4-yl)piperazin-1-yl]ethyl]-8-chloro-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 146190428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).