1-(5-fluoro-1-benzothiophen-3-yl)-3-[4-(2-methylquinolin-8-yl)piperazin-1-yl]propan-1-ol

C25H26FN3OS — CID 10895387

IUPAC1-(5-fluoro-1-benzothiophen-3-yl)-3-[4-(2-methylquinolin-8-yl)piperazin-1-yl]propan-1-ol
SMILESCc1ccc2cccc(N3CCN(CCC(O)c4csc5ccc(F)cc45)CC3)c2n1
InChIInChI=1S/C25H26FN3OS/c1-17-5-6-18-3-2-4-22(25(18)27-17)29-13-11-28(12-14-29)10-9-23(30)21-16-31-24-8-7-19(26)15-20(21)24/h2-8,15-16,23,30H,9-14H2,1H3
InChIKeyKJQSNZBBWNHIND-UHFFFAOYSA-N
MW435.57 g/mol
LogP5.14
Rot. Bonds5

About 1-(5-fluoro-1-benzothiophen-3-yl)-3-[4-(2-methylquinolin-8-yl)piperazin-1-yl]propan-1-ol

1-(5-fluoro-1-benzothiophen-3-yl)-3-[4-(2-methylquinolin-8-yl)piperazin-1-yl]propan-1-ol (PubChem CID 10895387) has the molecular formula C25H26FN3OS and a molecular weight of 435.57 g/mol. Its IUPAC name is 1-(5-fluoro-1-benzothiophen-3-yl)-3-[4-(2-methylquinolin-8-yl)piperazin-1-yl]propan-1-ol.

Molecular Properties

Compound Name1-(5-fluoro-1-benzothiophen-3-yl)-3-[4-(2-methylquinolin-8-yl)piperazin-1-yl]propan-1-ol
PubChem CID10895387
Molecular FormulaC25H26FN3OS
Molecular Weight435.57 g/mol
Exact Mass435.18
IUPAC Name1-(5-fluoro-1-benzothiophen-3-yl)-3-[4-(2-methylquinolin-8-yl)piperazin-1-yl]propan-1-ol
SMILESCc1ccc2cccc(N3CCN(CCC(O)c4csc5ccc(F)cc45)CC3)c2n1
InChIInChI=1S/C25H26FN3OS/c1-17-5-6-18-3-2-4-22(25(18)27-17)29-13-11-28(12-14-29)10-9-23(30)21-16-31-24-8-7-19(26)15-20(21)24/h2-8,15-16,23,30H,9-14H2,1H3
InChIKeyKJQSNZBBWNHIND-UHFFFAOYSA-N
XLogP5.14
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.57
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(5-fluoro-1-benzothiophen-3-yl)-3-[4-(2-methylquinolin-8-yl)piperazin-1-yl]propan-1-ol with MolForge

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Related Compounds

1-(Benzo[b]thiophen-3-yl)-3-(4-(quinolin-8-yl)piperazin-1-yl)propan-1-ol
CID 9846057
1-(5-Fluorobenzo[b]thiophen-3-yl)-3-(4-(quinolin-8-yl)piperazin-1-yl)propan-1-ol
CID 10112935
1-Benzo[b]thiophen-3-yl-3-(4-quinolin-2-yl-piperazin-1-yl)-propan-1-ol
CID 10158047
1-Benzo[b]thiophen-3-yl-3-(4-quinolin-6-yl-piperazin-1-yl)-propan-1-ol
CID 10179327
1-Benzo[b]thiophen-3-yl-3-(4-quinolin-5-yl-piperazin-1-yl)-propan-1-ol
CID 10272536
1-(1-Benzothiophen-3-yl)-3-(4-quinolin-4-ylpiperazin-1-yl)propan-1-ol
CID 10296991
1-(1-Benzothiophen-3-yl)-3-[4-(2-methylquinolin-8-yl)piperazin-1-yl]propan-1-ol
CID 10873456
1-Benzo[b]thiophen-3-yl-3-(4-quinolin-3-yl-piperazin-1-yl)-propan-1-ol
CID 10916460
1-(5-Fluoro-1-benzothiophen-3-yl)-3-(4-quinolin-2-ylpiperazin-1-yl)propan-1-ol
CID 71449095
4-[8-fluoro-5-(4-fluorophenyl)-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl]-1-thiophen-2-ylbutan-1-ol
CID 12629950
1'-(Quinolin-2-ylmethyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]
CID 70687251
[2-Methyl-8-[(3-methylthiophen-2-yl)methylamino]quinolin-4-yl]methanol
CID 177661045

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-1-benzothiophen-3-yl)-3-[4-(2-methylquinolin-8-yl)piperazin-1-yl]propan-1-ol?
The IUPAC name of 1-(5-fluoro-1-benzothiophen-3-yl)-3-[4-(2-methylquinolin-8-yl)piperazin-1-yl]propan-1-ol (CID 10895387) is 1-(5-fluoro-1-benzothiophen-3-yl)-3-[4-(2-methylquinolin-8-yl)piperazin-1-yl]propan-1-ol.
What is the SMILES notation for 1-(5-fluoro-1-benzothiophen-3-yl)-3-[4-(2-methylquinolin-8-yl)piperazin-1-yl]propan-1-ol?
The canonical SMILES for 1-(5-fluoro-1-benzothiophen-3-yl)-3-[4-(2-methylquinolin-8-yl)piperazin-1-yl]propan-1-ol is Cc1ccc2cccc(N3CCN(CCC(O)c4csc5ccc(F)cc45)CC3)c2n1.
What is the InChIKey of 1-(5-fluoro-1-benzothiophen-3-yl)-3-[4-(2-methylquinolin-8-yl)piperazin-1-yl]propan-1-ol?
The InChIKey is KJQSNZBBWNHIND-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN3OS/c1-17-5-6-18-3-2-4-22(25(18)27-17)29-13-11-28(12-14-29)10-9-23(30)21-16-31-24-8-7-19(26)15-20(21)24/h2-8,15-16,23,30H,9-14H2,1H3.
What are the key properties of 1-(5-fluoro-1-benzothiophen-3-yl)-3-[4-(2-methylquinolin-8-yl)piperazin-1-yl]propan-1-ol?
1-(5-fluoro-1-benzothiophen-3-yl)-3-[4-(2-methylquinolin-8-yl)piperazin-1-yl]propan-1-ol has a molecular weight of 435.57 g/mol, XLogP of 5.14, 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-(2-methylquinolin-8-yl)piperazin-1-yl]propan-1-ol is sourced from PubChem (CID 10895387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).