7-[2-[4-(1-benzothiophen-4-yl)piperazin-1-yl]ethyl]-1-methyl-3,4-dihydroquinolin-2-one

C24H27N3OS — CID 138374883

IUPAC7-[2-[4-(1-benzothiophen-4-yl)piperazin-1-yl]ethyl]-1-methyl-3,4-dihydroquinolin-2-one
SMILESCN1C(=O)CCc2ccc(CCN3CCN(c4cccc5sccc45)CC3)cc21
InChIInChI=1S/C24H27N3OS/c1-25-22-17-18(5-6-19(22)7-8-24(25)28)9-11-26-12-14-27(15-13-26)21-3-2-4-23-20(21)10-16-29-23/h2-6,10,16-17H,7-9,11-15H2,1H3
InChIKeyWLSOCRVYAHGGDS-UHFFFAOYSA-N
MW405.57 g/mol
LogP4.18
Rot. Bonds4

About 7-[2-[4-(1-benzothiophen-4-yl)piperazin-1-yl]ethyl]-1-methyl-3,4-dihydroquinolin-2-one

7-[2-[4-(1-benzothiophen-4-yl)piperazin-1-yl]ethyl]-1-methyl-3,4-dihydroquinolin-2-one (PubChem CID 138374883) has the molecular formula C24H27N3OS and a molecular weight of 405.57 g/mol. Its IUPAC name is 7-[2-[4-(1-benzothiophen-4-yl)piperazin-1-yl]ethyl]-1-methyl-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name7-[2-[4-(1-benzothiophen-4-yl)piperazin-1-yl]ethyl]-1-methyl-3,4-dihydroquinolin-2-one
PubChem CID138374883
Molecular FormulaC24H27N3OS
Molecular Weight405.57 g/mol
Exact Mass405.19
IUPAC Name7-[2-[4-(1-benzothiophen-4-yl)piperazin-1-yl]ethyl]-1-methyl-3,4-dihydroquinolin-2-one
SMILESCN1C(=O)CCc2ccc(CCN3CCN(c4cccc5sccc45)CC3)cc21
InChIInChI=1S/C24H27N3OS/c1-25-22-17-18(5-6-19(22)7-8-24(25)28)9-11-26-12-14-27(15-13-26)21-3-2-4-23-20(21)10-16-29-23/h2-6,10,16-17H,7-9,11-15H2,1H3
InChIKeyWLSOCRVYAHGGDS-UHFFFAOYSA-N
XLogP4.18
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.57
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 7-[2-[4-(1-benzothiophen-4-yl)piperazin-1-yl]ethyl]-1-methyl-3,4-dihydroquinolin-2-one with MolForge

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Related Compounds

7-[2-[4-(1-benzothiophen-4-yl)piperazin-1-yl]ethyl]-3,4-dihydro-1H-quinoline-2-thione
CID 129186535
7-[2-[4-(6-fluoro-1-benzothiophen-4-yl)piperazin-1-yl]ethyl]-1-(2-phenylacetyl)-3,4-dihydroquinolin-2-one
CID 169207428
1-[4-[4-(1-benzothiophen-4-yl)piperazin-1-yl]butyl]-3,4-dihydroquinolin-2-one
CID 66884891
6-[2-[4-(1-benzothiophen-4-yl)piperazin-1-yl]ethyl]-1,3-benzothiazole
CID 138374857
3-[7-[2-[4-(6-fluoro-1-benzothiophen-4-yl)piperazin-1-yl]ethyl]-2-oxo-3,4-dihydroquinolin-1-yl]pyridine-2-carboxylic acid
CID 170172486
6-[2-[4-(1-benzothiophen-4-yl)piperazin-1-yl]ethyl]-1,3-benzothiazol-2-amine
CID 138374893
8-[2-[4-(1-benzothiophen-4-yl)piperazin-1-yl]ethyl]-3,4-dihydro-1H-quinolin-2-one
CID 146190417
[7-[2-[4-(6-fluoro-1-benzothiophen-4-yl)piperazin-1-yl]ethyl]-2-oxo-3,4-dihydroquinolin-1-yl]-(2-methylprop-2-enyl)carbamic acid
CID 175953034
1-[7-[2-[4-(6-fluoro-1-benzothiophen-4-yl)piperazin-1-yl]ethyl]-2-oxo-3,4-dihydroquinolin-1-yl]cyclohexane-1-carboxylic acid
CID 170172295
7-[2-[4-(1-benzothiophen-4-yl)piperazin-1-yl]ethyl]-8-chloro-3,4-dihydro-1H-quinolin-2-one
CID 146190428
4-[2-[4-(1-benzothiophen-4-yl)piperazin-1-yl]ethyl]-10,15-dioxa-1-azatricyclo[7.6.1.02,7]hexadeca-2(7),3,5,8-tetraene-11,14,16-trione
CID 153375836
1-[4-[4-(1-benzothiophen-4-yl)piperazin-1-yl]butyl]azepan-2-one
CID 24880921

Frequently Asked Questions

What is the IUPAC name of 7-[2-[4-(1-benzothiophen-4-yl)piperazin-1-yl]ethyl]-1-methyl-3,4-dihydroquinolin-2-one?
The IUPAC name of 7-[2-[4-(1-benzothiophen-4-yl)piperazin-1-yl]ethyl]-1-methyl-3,4-dihydroquinolin-2-one (CID 138374883) is 7-[2-[4-(1-benzothiophen-4-yl)piperazin-1-yl]ethyl]-1-methyl-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 7-[2-[4-(1-benzothiophen-4-yl)piperazin-1-yl]ethyl]-1-methyl-3,4-dihydroquinolin-2-one?
The canonical SMILES for 7-[2-[4-(1-benzothiophen-4-yl)piperazin-1-yl]ethyl]-1-methyl-3,4-dihydroquinolin-2-one is CN1C(=O)CCc2ccc(CCN3CCN(c4cccc5sccc45)CC3)cc21.
What is the InChIKey of 7-[2-[4-(1-benzothiophen-4-yl)piperazin-1-yl]ethyl]-1-methyl-3,4-dihydroquinolin-2-one?
The InChIKey is WLSOCRVYAHGGDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3OS/c1-25-22-17-18(5-6-19(22)7-8-24(25)28)9-11-26-12-14-27(15-13-26)21-3-2-4-23-20(21)10-16-29-23/h2-6,10,16-17H,7-9,11-15H2,1H3.
What are the key properties of 7-[2-[4-(1-benzothiophen-4-yl)piperazin-1-yl]ethyl]-1-methyl-3,4-dihydroquinolin-2-one?
7-[2-[4-(1-benzothiophen-4-yl)piperazin-1-yl]ethyl]-1-methyl-3,4-dihydroquinolin-2-one has a molecular weight of 405.57 g/mol, XLogP of 4.18, 4 rotatable bonds, 0 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]-1-methyl-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 138374883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).