1-(5-pyridazin-3-yl-3-quinolin-2-ylpyrazin-2-yl)isoquinoline

C26H16N6 — CID 54062793

IUPAC1-(5-pyridazin-3-yl-3-quinolin-2-ylpyrazin-2-yl)isoquinoline
SMILESc1cnnc(-c2cnc(-c3nccc4ccccc34)c(-c3ccc4ccccc4n3)n2)c1
InChIInChI=1S/C26H16N6/c1-3-8-19-17(6-1)13-15-27-24(19)26-25(22-12-11-18-7-2-4-9-20(18)30-22)31-23(16-28-26)21-10-5-14-29-32-21/h1-16H
InChIKeyBBUFQAHUPPIPAL-UHFFFAOYSA-N
MW412.46 g/mol
LogP5.36
Rot. Bonds3

About 1-(5-pyridazin-3-yl-3-quinolin-2-ylpyrazin-2-yl)isoquinoline

1-(5-pyridazin-3-yl-3-quinolin-2-ylpyrazin-2-yl)isoquinoline (PubChem CID 54062793) has the molecular formula C26H16N6 and a molecular weight of 412.46 g/mol. Its IUPAC name is 1-(5-pyridazin-3-yl-3-quinolin-2-ylpyrazin-2-yl)isoquinoline.

Molecular Properties

Compound Name1-(5-pyridazin-3-yl-3-quinolin-2-ylpyrazin-2-yl)isoquinoline
PubChem CID54062793
Molecular FormulaC26H16N6
Molecular Weight412.46 g/mol
Exact Mass412.14
IUPAC Name1-(5-pyridazin-3-yl-3-quinolin-2-ylpyrazin-2-yl)isoquinoline
SMILESc1cnnc(-c2cnc(-c3nccc4ccccc34)c(-c3ccc4ccccc4n3)n2)c1
InChIInChI=1S/C26H16N6/c1-3-8-19-17(6-1)13-15-27-24(19)26-25(22-12-11-18-7-2-4-9-20(18)30-22)31-23(16-28-26)21-10-5-14-29-32-21/h1-16H
InChIKeyBBUFQAHUPPIPAL-UHFFFAOYSA-N
XLogP5.36
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.46
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(5-pyridazin-3-yl-3-quinolin-2-ylpyrazin-2-yl)isoquinoline?
The IUPAC name of 1-(5-pyridazin-3-yl-3-quinolin-2-ylpyrazin-2-yl)isoquinoline (CID 54062793) is 1-(5-pyridazin-3-yl-3-quinolin-2-ylpyrazin-2-yl)isoquinoline.
What is the SMILES notation for 1-(5-pyridazin-3-yl-3-quinolin-2-ylpyrazin-2-yl)isoquinoline?
The canonical SMILES for 1-(5-pyridazin-3-yl-3-quinolin-2-ylpyrazin-2-yl)isoquinoline is c1cnnc(-c2cnc(-c3nccc4ccccc34)c(-c3ccc4ccccc4n3)n2)c1.
What is the InChIKey of 1-(5-pyridazin-3-yl-3-quinolin-2-ylpyrazin-2-yl)isoquinoline?
The InChIKey is BBUFQAHUPPIPAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H16N6/c1-3-8-19-17(6-1)13-15-27-24(19)26-25(22-12-11-18-7-2-4-9-20(18)30-22)31-23(16-28-26)21-10-5-14-29-32-21/h1-16H.
What are the key properties of 1-(5-pyridazin-3-yl-3-quinolin-2-ylpyrazin-2-yl)isoquinoline?
1-(5-pyridazin-3-yl-3-quinolin-2-ylpyrazin-2-yl)isoquinoline has a molecular weight of 412.46 g/mol, XLogP of 5.36, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-pyridazin-3-yl-3-quinolin-2-ylpyrazin-2-yl)isoquinoline is sourced from PubChem (CID 54062793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).