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

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

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Related Compounds

Benzo[b]thiophen-3-yl(4-fluoro-4-(((5-methylpyridin-2-yl)methylamino)methyl)piperidin-1-yl)methanone
CID 42606339
2,2,2-Trifluoro-1-[5-(quinoxalin-6-yl)thiophen-2-yl]ethanone
CID 44543405
3-(4-Fluorophenyl)-3-(8-quinolylthio)-1-(2-thienyl)propan-1-one
CID 4090525
(2E)-3-(Quinolin-4-YL)-1-(thiophen-2-YL)prop-2-EN-1-one
CID 5739531
[4-(Methylthio)phenyl][1-(quinoxalin-5-ylmethyl)piperidin-3-yl]methanone
CID 16190714
2-Ethylsulfanylcarbothioylsulfanyl-1-[5-[5-[(quinolin-3-ylamino)methyl]-2-pyridinyl]thiophen-2-yl]ethanone
CID 24895117
N-[3-(quinolin-3-ylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 25343670
2-(5-methylthiophen-2-yl)-N-(pyridin-3-yl)quinoline-4-carboxamide
CID 888063
4-(benzo[b]thiophen-3-yl)-1,2-dimethyl-5-(quinoxalin-6-yl)-1H-pyrazol-3(2H)-one
CID 16730505
1-Benzo[b]thiophen-3-yl-3-(4-quinoxalin-2-yl-[1,4]diazepan-1-yl)-propan-1-one
CID 45028192
N-[3-(8-acetamidoquinolin-4-yl)phenyl]-1-benzothiophene-2-carboxamide
CID 76328024
(2-Pyridin-3-ylquinolin-4-yl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone
CID 17412108

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).