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

C24H24FN3OS — CID 10112935

IUPAC1-(5-fluoro-1-benzothiophen-3-yl)-3-(4-quinolin-8-ylpiperazin-1-yl)propan-1-ol
SMILESOC(CCN1CCN(c2cccc3cccnc23)CC1)c1csc2ccc(F)cc12
InChIInChI=1S/C24H24FN3OS/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/h1-7,9,15-16,22,29H,8,10-14H2
InChIKeyHOSAPRPVTWOIOP-UHFFFAOYSA-N
MW421.54 g/mol
LogP4.83
Rot. Bonds5

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

1-(5-fluoro-1-benzothiophen-3-yl)-3-(4-quinolin-8-ylpiperazin-1-yl)propan-1-ol (PubChem CID 10112935) has the molecular formula C24H24FN3OS and a molecular weight of 421.54 g/mol. Its IUPAC name is 1-(5-fluoro-1-benzothiophen-3-yl)-3-(4-quinolin-8-ylpiperazin-1-yl)propan-1-ol.

Molecular Properties

Compound Name1-(5-fluoro-1-benzothiophen-3-yl)-3-(4-quinolin-8-ylpiperazin-1-yl)propan-1-ol
PubChem CID10112935
Molecular FormulaC24H24FN3OS
Molecular Weight421.54 g/mol
Exact Mass421.16
IUPAC Name1-(5-fluoro-1-benzothiophen-3-yl)-3-(4-quinolin-8-ylpiperazin-1-yl)propan-1-ol
SMILESOC(CCN1CCN(c2cccc3cccnc23)CC1)c1csc2ccc(F)cc12
InChIInChI=1S/C24H24FN3OS/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/h1-7,9,15-16,22,29H,8,10-14H2
InChIKeyHOSAPRPVTWOIOP-UHFFFAOYSA-N
XLogP4.83
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.54
LogP ≤ 54.83
H-Bond Donors ≤ 51
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-ol?
The IUPAC name of 1-(5-fluoro-1-benzothiophen-3-yl)-3-(4-quinolin-8-ylpiperazin-1-yl)propan-1-ol (CID 10112935) is 1-(5-fluoro-1-benzothiophen-3-yl)-3-(4-quinolin-8-ylpiperazin-1-yl)propan-1-ol.
What is the SMILES notation for 1-(5-fluoro-1-benzothiophen-3-yl)-3-(4-quinolin-8-ylpiperazin-1-yl)propan-1-ol?
The canonical SMILES for 1-(5-fluoro-1-benzothiophen-3-yl)-3-(4-quinolin-8-ylpiperazin-1-yl)propan-1-ol is OC(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-ol?
The InChIKey is HOSAPRPVTWOIOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN3OS/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/h1-7,9,15-16,22,29H,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-ol?
1-(5-fluoro-1-benzothiophen-3-yl)-3-(4-quinolin-8-ylpiperazin-1-yl)propan-1-ol has a molecular weight of 421.54 g/mol, XLogP of 4.83, 5 rotatable bonds, 1 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-ol is sourced from PubChem (CID 10112935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).