2-isoquinolin-3-ylquinoline

C18H12N2 — CID 620696

IUPAC2-isoquinolin-3-ylquinoline
SMILESc1ccc2cc(-c3ccc4ccccc4n3)ncc2c1
InChIInChI=1S/C18H12N2/c1-2-7-15-12-19-18(11-14(15)6-1)17-10-9-13-5-3-4-8-16(13)20-17/h1-12H
InChIKeyCPSOVHYBPNJBNO-UHFFFAOYSA-N
MW256.31 g/mol
LogP4.45
Rot. Bonds1

About 2-isoquinolin-3-ylquinoline

2-isoquinolin-3-ylquinoline (PubChem CID 620696) has the molecular formula C18H12N2 and a molecular weight of 256.31 g/mol. Its IUPAC name is 2-isoquinolin-3-ylquinoline.

Molecular Properties

Compound Name2-isoquinolin-3-ylquinoline
PubChem CID620696
Molecular FormulaC18H12N2
Molecular Weight256.31 g/mol
Exact Mass256.10
IUPAC Name2-isoquinolin-3-ylquinoline
SMILESc1ccc2cc(-c3ccc4ccccc4n3)ncc2c1
InChIInChI=1S/C18H12N2/c1-2-7-15-12-19-18(11-14(15)6-1)17-10-9-13-5-3-4-8-16(13)20-17/h1-12H
InChIKeyCPSOVHYBPNJBNO-UHFFFAOYSA-N
XLogP4.45
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-isoquinolin-3-ylquinoline?
The IUPAC name of 2-isoquinolin-3-ylquinoline (CID 620696) is 2-isoquinolin-3-ylquinoline.
What is the SMILES notation for 2-isoquinolin-3-ylquinoline?
The canonical SMILES for 2-isoquinolin-3-ylquinoline is c1ccc2cc(-c3ccc4ccccc4n3)ncc2c1.
What is the InChIKey of 2-isoquinolin-3-ylquinoline?
The InChIKey is CPSOVHYBPNJBNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N2/c1-2-7-15-12-19-18(11-14(15)6-1)17-10-9-13-5-3-4-8-16(13)20-17/h1-12H.
What are the key properties of 2-isoquinolin-3-ylquinoline?
2-isoquinolin-3-ylquinoline has a molecular weight of 256.31 g/mol, XLogP of 4.45, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-isoquinolin-3-ylquinoline is sourced from PubChem (CID 620696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).