4-[3-(4-fluorophenyl)-1-benzothiophen-7-yl]isoquinoline

C23H14FNS — CID 71544377

IUPAC4-[3-(4-fluorophenyl)-1-benzothiophen-7-yl]isoquinoline
SMILESFc1ccc(-c2csc3c(-c4cncc5ccccc45)cccc23)cc1
InChIInChI=1S/C23H14FNS/c24-17-10-8-15(9-11-17)22-14-26-23-19(6-3-7-20(22)23)21-13-25-12-16-4-1-2-5-18(16)21/h1-14H
InChIKeyLPIOHVJUGLRIDD-UHFFFAOYSA-N
MW355.44 g/mol
LogP6.92
Rot. Bonds2

About 4-[3-(4-fluorophenyl)-1-benzothiophen-7-yl]isoquinoline

4-[3-(4-fluorophenyl)-1-benzothiophen-7-yl]isoquinoline (PubChem CID 71544377) has the molecular formula C23H14FNS and a molecular weight of 355.44 g/mol. Its IUPAC name is 4-[3-(4-fluorophenyl)-1-benzothiophen-7-yl]isoquinoline.

Molecular Properties

Compound Name4-[3-(4-fluorophenyl)-1-benzothiophen-7-yl]isoquinoline
PubChem CID71544377
Molecular FormulaC23H14FNS
Molecular Weight355.44 g/mol
Exact Mass355.08
IUPAC Name4-[3-(4-fluorophenyl)-1-benzothiophen-7-yl]isoquinoline
SMILESFc1ccc(-c2csc3c(-c4cncc5ccccc45)cccc23)cc1
InChIInChI=1S/C23H14FNS/c24-17-10-8-15(9-11-17)22-14-26-23-19(6-3-7-20(22)23)21-13-25-12-16-4-1-2-5-18(16)21/h1-14H
InChIKeyLPIOHVJUGLRIDD-UHFFFAOYSA-N
XLogP6.92
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.44
LogP ≤ 56.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-fluorophenyl)-1-benzothiophen-7-yl]isoquinoline?
The IUPAC name of 4-[3-(4-fluorophenyl)-1-benzothiophen-7-yl]isoquinoline (CID 71544377) is 4-[3-(4-fluorophenyl)-1-benzothiophen-7-yl]isoquinoline.
What is the SMILES notation for 4-[3-(4-fluorophenyl)-1-benzothiophen-7-yl]isoquinoline?
The canonical SMILES for 4-[3-(4-fluorophenyl)-1-benzothiophen-7-yl]isoquinoline is Fc1ccc(-c2csc3c(-c4cncc5ccccc45)cccc23)cc1.
What is the InChIKey of 4-[3-(4-fluorophenyl)-1-benzothiophen-7-yl]isoquinoline?
The InChIKey is LPIOHVJUGLRIDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14FNS/c24-17-10-8-15(9-11-17)22-14-26-23-19(6-3-7-20(22)23)21-13-25-12-16-4-1-2-5-18(16)21/h1-14H.
What are the key properties of 4-[3-(4-fluorophenyl)-1-benzothiophen-7-yl]isoquinoline?
4-[3-(4-fluorophenyl)-1-benzothiophen-7-yl]isoquinoline has a molecular weight of 355.44 g/mol, XLogP of 6.92, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-fluorophenyl)-1-benzothiophen-7-yl]isoquinoline is sourced from PubChem (CID 71544377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).