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

C23H24FN3OS — CID 129186543

IUPAC7-[2-[4-(2-fluoro-1-benzothiophen-4-yl)piperazin-1-yl]ethyl]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2ccc(CCN3CCN(c4cccc5sc(F)cc45)CC3)cc2N1
InChIInChI=1S/C23H24FN3OS/c24-22-15-18-20(2-1-3-21(18)29-22)27-12-10-26(11-13-27)9-8-16-4-5-17-6-7-23(28)25-19(17)14-16/h1-5,14-15H,6-13H2,(H,25,28)
InChIKeyGKXOICRHYDMLAH-UHFFFAOYSA-N
MW409.53 g/mol
LogP4.29
Rot. Bonds4

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

7-[2-[4-(2-fluoro-1-benzothiophen-4-yl)piperazin-1-yl]ethyl]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 129186543) has the molecular formula C23H24FN3OS and a molecular weight of 409.53 g/mol. Its IUPAC name is 7-[2-[4-(2-fluoro-1-benzothiophen-4-yl)piperazin-1-yl]ethyl]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name7-[2-[4-(2-fluoro-1-benzothiophen-4-yl)piperazin-1-yl]ethyl]-3,4-dihydro-1H-quinolin-2-one
PubChem CID129186543
Molecular FormulaC23H24FN3OS
Molecular Weight409.53 g/mol
Exact Mass409.16
IUPAC Name7-[2-[4-(2-fluoro-1-benzothiophen-4-yl)piperazin-1-yl]ethyl]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2ccc(CCN3CCN(c4cccc5sc(F)cc45)CC3)cc2N1
InChIInChI=1S/C23H24FN3OS/c24-22-15-18-20(2-1-3-21(18)29-22)27-12-10-26(11-13-27)9-8-16-4-5-17-6-7-23(28)25-19(17)14-16/h1-5,14-15H,6-13H2,(H,25,28)
InChIKeyGKXOICRHYDMLAH-UHFFFAOYSA-N
XLogP4.29
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

1-[4-(4-benzo[b]thiophen-4-yl-piperazin-1-yl)butyl]-3,4-dihydro-1H-quinolin-2-one
CID 66884891
2-[4-(4-benzo[b]thiophen-4-yl-piperazin-1-yl)butyl]-3,4-dihydro-2H-isoquinolin-1-one
CID 66885601
US10174011, Example 74
CID 129186520
US10174011, Example 65
CID 129186561
US10174011, Example 57
CID 138374855
US10174011, Example 79
CID 138374861
US10174011, Example 84
CID 138374865
N-[4-[4-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)piperazin-1-yl]butyl]-1-benzothiophene-2-carboxamide
CID 49782841
N-[4-[4-(2,5-Dimethylphenyl)piperazin-1-yl]butyl]benzo[b]thiophenyl-2-carboxamide
CID 49783039
3-[4-[4-(1-Benzothiophen-4-yl)piperazin-1-yl]butyl]-3-azaspiro[5.5]undecane-2,4-dione
CID 145993577
1-[5-(4-benzo[b]thiophen-4-yl-piperazin-1-yl)pentyl]-3,4-dihydro-1H-quinolin-2-one
CID 66884093
2-[5-[4-(1-Benzothiophen-4-yl)piperazin-1-yl]pentyl]-3,4-dihydroisoquinolin-1-one
CID 66884834

Frequently Asked Questions

What is the IUPAC name of 7-[2-[4-(2-fluoro-1-benzothiophen-4-yl)piperazin-1-yl]ethyl]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 7-[2-[4-(2-fluoro-1-benzothiophen-4-yl)piperazin-1-yl]ethyl]-3,4-dihydro-1H-quinolin-2-one (CID 129186543) is 7-[2-[4-(2-fluoro-1-benzothiophen-4-yl)piperazin-1-yl]ethyl]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 7-[2-[4-(2-fluoro-1-benzothiophen-4-yl)piperazin-1-yl]ethyl]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 7-[2-[4-(2-fluoro-1-benzothiophen-4-yl)piperazin-1-yl]ethyl]-3,4-dihydro-1H-quinolin-2-one is O=C1CCc2ccc(CCN3CCN(c4cccc5sc(F)cc45)CC3)cc2N1.
What is the InChIKey of 7-[2-[4-(2-fluoro-1-benzothiophen-4-yl)piperazin-1-yl]ethyl]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is GKXOICRHYDMLAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3OS/c24-22-15-18-20(2-1-3-21(18)29-22)27-12-10-26(11-13-27)9-8-16-4-5-17-6-7-23(28)25-19(17)14-16/h1-5,14-15H,6-13H2,(H,25,28).
What are the key properties of 7-[2-[4-(2-fluoro-1-benzothiophen-4-yl)piperazin-1-yl]ethyl]-3,4-dihydro-1H-quinolin-2-one?
7-[2-[4-(2-fluoro-1-benzothiophen-4-yl)piperazin-1-yl]ethyl]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 409.53 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-[4-(2-fluoro-1-benzothiophen-4-yl)piperazin-1-yl]ethyl]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 129186543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).