2-(5-chloro-2-fluorophenyl)-4-isoquinolin-4-ylquinoline

C24H14ClFN2 — CID 67365445

IUPAC2-(5-chloro-2-fluorophenyl)-4-isoquinolin-4-ylquinoline
SMILESFc1ccc(Cl)cc1-c1cc(-c2cncc3ccccc23)c2ccccc2n1
InChIInChI=1S/C24H14ClFN2/c25-16-9-10-22(26)20(11-16)24-12-19(18-7-3-4-8-23(18)28-24)21-14-27-13-15-5-1-2-6-17(15)21/h1-14H
InChIKeyHUPNKZAOFPTFPH-UHFFFAOYSA-N
MW384.84 g/mol
LogP6.91
Rot. Bonds2

About 2-(5-chloro-2-fluorophenyl)-4-isoquinolin-4-ylquinoline

2-(5-chloro-2-fluorophenyl)-4-isoquinolin-4-ylquinoline (PubChem CID 67365445) has the molecular formula C24H14ClFN2 and a molecular weight of 384.84 g/mol. Its IUPAC name is 2-(5-chloro-2-fluorophenyl)-4-isoquinolin-4-ylquinoline.

Molecular Properties

Compound Name2-(5-chloro-2-fluorophenyl)-4-isoquinolin-4-ylquinoline
PubChem CID67365445
Molecular FormulaC24H14ClFN2
Molecular Weight384.84 g/mol
Exact Mass384.08
IUPAC Name2-(5-chloro-2-fluorophenyl)-4-isoquinolin-4-ylquinoline
SMILESFc1ccc(Cl)cc1-c1cc(-c2cncc3ccccc23)c2ccccc2n1
InChIInChI=1S/C24H14ClFN2/c25-16-9-10-22(26)20(11-16)24-12-19(18-7-3-4-8-23(18)28-24)21-14-27-13-15-5-1-2-6-17(15)21/h1-14H
InChIKeyHUPNKZAOFPTFPH-UHFFFAOYSA-N
XLogP6.91
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.84
LogP ≤ 56.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-fluorophenyl)-4-isoquinolin-4-ylquinoline?
The IUPAC name of 2-(5-chloro-2-fluorophenyl)-4-isoquinolin-4-ylquinoline (CID 67365445) is 2-(5-chloro-2-fluorophenyl)-4-isoquinolin-4-ylquinoline.
What is the SMILES notation for 2-(5-chloro-2-fluorophenyl)-4-isoquinolin-4-ylquinoline?
The canonical SMILES for 2-(5-chloro-2-fluorophenyl)-4-isoquinolin-4-ylquinoline is Fc1ccc(Cl)cc1-c1cc(-c2cncc3ccccc23)c2ccccc2n1.
What is the InChIKey of 2-(5-chloro-2-fluorophenyl)-4-isoquinolin-4-ylquinoline?
The InChIKey is HUPNKZAOFPTFPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14ClFN2/c25-16-9-10-22(26)20(11-16)24-12-19(18-7-3-4-8-23(18)28-24)21-14-27-13-15-5-1-2-6-17(15)21/h1-14H.
What are the key properties of 2-(5-chloro-2-fluorophenyl)-4-isoquinolin-4-ylquinoline?
2-(5-chloro-2-fluorophenyl)-4-isoquinolin-4-ylquinoline has a molecular weight of 384.84 g/mol, XLogP of 6.91, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-fluorophenyl)-4-isoquinolin-4-ylquinoline is sourced from PubChem (CID 67365445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).