1-(4-fluorophenyl)-7-(1H-indol-5-yl)isoquinoline

C23H15FN2 — CID 53379482

IUPAC1-(4-fluorophenyl)-7-(1H-indol-5-yl)isoquinoline
SMILESFc1ccc(-c2nccc3ccc(-c4ccc5[nH]ccc5c4)cc23)cc1
InChIInChI=1S/C23H15FN2/c24-20-6-3-16(4-7-20)23-21-14-18(2-1-15(21)9-12-26-23)17-5-8-22-19(13-17)10-11-25-22/h1-14,25H
InChIKeyCFNSUPWRBJSHTB-UHFFFAOYSA-N
MW338.39 g/mol
LogP6.19
Rot. Bonds2

About 1-(4-fluorophenyl)-7-(1H-indol-5-yl)isoquinoline

1-(4-fluorophenyl)-7-(1H-indol-5-yl)isoquinoline (PubChem CID 53379482) has the molecular formula C23H15FN2 and a molecular weight of 338.39 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-7-(1H-indol-5-yl)isoquinoline.

Molecular Properties

Compound Name1-(4-fluorophenyl)-7-(1H-indol-5-yl)isoquinoline
PubChem CID53379482
Molecular FormulaC23H15FN2
Molecular Weight338.39 g/mol
Exact Mass338.12
IUPAC Name1-(4-fluorophenyl)-7-(1H-indol-5-yl)isoquinoline
SMILESFc1ccc(-c2nccc3ccc(-c4ccc5[nH]ccc5c4)cc23)cc1
InChIInChI=1S/C23H15FN2/c24-20-6-3-16(4-7-20)23-21-14-18(2-1-15(21)9-12-26-23)17-5-8-22-19(13-17)10-11-25-22/h1-14,25H
InChIKeyCFNSUPWRBJSHTB-UHFFFAOYSA-N
XLogP6.19
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.39
LogP ≤ 56.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-7-(1H-indol-5-yl)isoquinoline?
The IUPAC name of 1-(4-fluorophenyl)-7-(1H-indol-5-yl)isoquinoline (CID 53379482) is 1-(4-fluorophenyl)-7-(1H-indol-5-yl)isoquinoline.
What is the SMILES notation for 1-(4-fluorophenyl)-7-(1H-indol-5-yl)isoquinoline?
The canonical SMILES for 1-(4-fluorophenyl)-7-(1H-indol-5-yl)isoquinoline is Fc1ccc(-c2nccc3ccc(-c4ccc5[nH]ccc5c4)cc23)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-7-(1H-indol-5-yl)isoquinoline?
The InChIKey is CFNSUPWRBJSHTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15FN2/c24-20-6-3-16(4-7-20)23-21-14-18(2-1-15(21)9-12-26-23)17-5-8-22-19(13-17)10-11-25-22/h1-14,25H.
What are the key properties of 1-(4-fluorophenyl)-7-(1H-indol-5-yl)isoquinoline?
1-(4-fluorophenyl)-7-(1H-indol-5-yl)isoquinoline has a molecular weight of 338.39 g/mol, XLogP of 6.19, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-7-(1H-indol-5-yl)isoquinoline is sourced from PubChem (CID 53379482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).