1-(5-fluoro-1-benzothiophen-3-yl)-3-(4-quinolin-8-ylpiperazin-1-yl)propan-1-one

C24H22FN3OS — CID 10884295

IUPAC1-(5-fluoro-1-benzothiophen-3-yl)-3-(4-quinolin-8-ylpiperazin-1-yl)propan-1-one
SMILESO=C(CCN1CCN(c2cccc3cccnc23)CC1)c1csc2ccc(F)cc12
InChIInChI=1S/C24H22FN3OS/c25-18-6-7-23-19(15-18)20(16-30-23)22(29)8-10-27-11-13-28(14-12-27)21-5-1-3-17-4-2-9-26-24(17)21/h1-7,9,15-16H,8,10-14H2
InChIKeyULTJVFGOCDXXJI-UHFFFAOYSA-N
MW419.53 g/mol
LogP4.98
Rot. Bonds5

About 1-(5-fluoro-1-benzothiophen-3-yl)-3-(4-quinolin-8-ylpiperazin-1-yl)propan-1-one

1-(5-fluoro-1-benzothiophen-3-yl)-3-(4-quinolin-8-ylpiperazin-1-yl)propan-1-one (PubChem CID 10884295) has the molecular formula C24H22FN3OS and a molecular weight of 419.53 g/mol. Its IUPAC name is 1-(5-fluoro-1-benzothiophen-3-yl)-3-(4-quinolin-8-ylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name1-(5-fluoro-1-benzothiophen-3-yl)-3-(4-quinolin-8-ylpiperazin-1-yl)propan-1-one
PubChem CID10884295
Molecular FormulaC24H22FN3OS
Molecular Weight419.53 g/mol
Exact Mass419.15
IUPAC Name1-(5-fluoro-1-benzothiophen-3-yl)-3-(4-quinolin-8-ylpiperazin-1-yl)propan-1-one
SMILESO=C(CCN1CCN(c2cccc3cccnc23)CC1)c1csc2ccc(F)cc12
InChIInChI=1S/C24H22FN3OS/c25-18-6-7-23-19(15-18)20(16-30-23)22(29)8-10-27-11-13-28(14-12-27)21-5-1-3-17-4-2-9-26-24(17)21/h1-7,9,15-16H,8,10-14H2
InChIKeyULTJVFGOCDXXJI-UHFFFAOYSA-N
XLogP4.98
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-1-benzothiophen-3-yl)-3-(4-quinolin-8-ylpiperazin-1-yl)propan-1-one?
The IUPAC name of 1-(5-fluoro-1-benzothiophen-3-yl)-3-(4-quinolin-8-ylpiperazin-1-yl)propan-1-one (CID 10884295) is 1-(5-fluoro-1-benzothiophen-3-yl)-3-(4-quinolin-8-ylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for 1-(5-fluoro-1-benzothiophen-3-yl)-3-(4-quinolin-8-ylpiperazin-1-yl)propan-1-one?
The canonical SMILES for 1-(5-fluoro-1-benzothiophen-3-yl)-3-(4-quinolin-8-ylpiperazin-1-yl)propan-1-one is O=C(CCN1CCN(c2cccc3cccnc23)CC1)c1csc2ccc(F)cc12.
What is the InChIKey of 1-(5-fluoro-1-benzothiophen-3-yl)-3-(4-quinolin-8-ylpiperazin-1-yl)propan-1-one?
The InChIKey is ULTJVFGOCDXXJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN3OS/c25-18-6-7-23-19(15-18)20(16-30-23)22(29)8-10-27-11-13-28(14-12-27)21-5-1-3-17-4-2-9-26-24(17)21/h1-7,9,15-16H,8,10-14H2.
What are the key properties of 1-(5-fluoro-1-benzothiophen-3-yl)-3-(4-quinolin-8-ylpiperazin-1-yl)propan-1-one?
1-(5-fluoro-1-benzothiophen-3-yl)-3-(4-quinolin-8-ylpiperazin-1-yl)propan-1-one has a molecular weight of 419.53 g/mol, XLogP of 4.98, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-1-benzothiophen-3-yl)-3-(4-quinolin-8-ylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 10884295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).