6-[2-[4-(2-fluoro-1-benzothiophen-4-yl)piperazin-1-yl]ethyl]-3,4-dihydro-1H-quinolin-2-one

C23H24FN3OS — CID 129186561

IUPAC6-[2-[4-(2-fluoro-1-benzothiophen-4-yl)piperazin-1-yl]ethyl]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(CCN3CCN(c4cccc5sc(F)cc45)CC3)ccc2N1
InChIInChI=1S/C23H24FN3OS/c24-22-15-18-20(2-1-3-21(18)29-22)27-12-10-26(11-13-27)9-8-16-4-6-19-17(14-16)5-7-23(28)25-19/h1-4,6,14-15H,5,7-13H2,(H,25,28)
InChIKeyDLYAUPSKDVMPSS-UHFFFAOYSA-N
MW409.53 g/mol
LogP4.29
Rot. Bonds4

About 6-[2-[4-(2-fluoro-1-benzothiophen-4-yl)piperazin-1-yl]ethyl]-3,4-dihydro-1H-quinolin-2-one

6-[2-[4-(2-fluoro-1-benzothiophen-4-yl)piperazin-1-yl]ethyl]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 129186561) has the molecular formula C23H24FN3OS and a molecular weight of 409.53 g/mol. Its IUPAC name is 6-[2-[4-(2-fluoro-1-benzothiophen-4-yl)piperazin-1-yl]ethyl]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[2-[4-(2-fluoro-1-benzothiophen-4-yl)piperazin-1-yl]ethyl]-3,4-dihydro-1H-quinolin-2-one
PubChem CID129186561
Molecular FormulaC23H24FN3OS
Molecular Weight409.53 g/mol
Exact Mass409.16
IUPAC Name6-[2-[4-(2-fluoro-1-benzothiophen-4-yl)piperazin-1-yl]ethyl]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(CCN3CCN(c4cccc5sc(F)cc45)CC3)ccc2N1
InChIInChI=1S/C23H24FN3OS/c24-22-15-18-20(2-1-3-21(18)29-22)27-12-10-26(11-13-27)9-8-16-4-6-19-17(14-16)5-7-23(28)25-19/h1-4,6,14-15H,5,7-13H2,(H,25,28)
InChIKeyDLYAUPSKDVMPSS-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

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Frequently Asked Questions

What is the IUPAC name of 6-[2-[4-(2-fluoro-1-benzothiophen-4-yl)piperazin-1-yl]ethyl]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-[2-[4-(2-fluoro-1-benzothiophen-4-yl)piperazin-1-yl]ethyl]-3,4-dihydro-1H-quinolin-2-one (CID 129186561) is 6-[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 6-[2-[4-(2-fluoro-1-benzothiophen-4-yl)piperazin-1-yl]ethyl]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-[2-[4-(2-fluoro-1-benzothiophen-4-yl)piperazin-1-yl]ethyl]-3,4-dihydro-1H-quinolin-2-one is O=C1CCc2cc(CCN3CCN(c4cccc5sc(F)cc45)CC3)ccc2N1.
What is the InChIKey of 6-[2-[4-(2-fluoro-1-benzothiophen-4-yl)piperazin-1-yl]ethyl]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is DLYAUPSKDVMPSS-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)9-8-16-4-6-19-17(14-16)5-7-23(28)25-19/h1-4,6,14-15H,5,7-13H2,(H,25,28).
What are the key properties of 6-[2-[4-(2-fluoro-1-benzothiophen-4-yl)piperazin-1-yl]ethyl]-3,4-dihydro-1H-quinolin-2-one?
6-[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 6-[2-[4-(2-fluoro-1-benzothiophen-4-yl)piperazin-1-yl]ethyl]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 129186561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).