3-(3-isoquinolin-3-ylpropyl)isoquinoline

C21H18N2 — CID 11141061

IUPAC3-(3-isoquinolin-3-ylpropyl)isoquinoline
SMILESc1ccc2cc(CCCc3cc4ccccc4cn3)ncc2c1
InChIInChI=1S/C21H18N2/c1-3-8-18-14-22-20(12-16(18)6-1)10-5-11-21-13-17-7-2-4-9-19(17)15-23-21/h1-4,6-9,12-15H,5,10-11H2
InChIKeyDIYDJAIBBVHHPL-UHFFFAOYSA-N
MW298.39 g/mol
LogP4.96
Rot. Bonds4

About 3-(3-isoquinolin-3-ylpropyl)isoquinoline

3-(3-isoquinolin-3-ylpropyl)isoquinoline (PubChem CID 11141061) has the molecular formula C21H18N2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 3-(3-isoquinolin-3-ylpropyl)isoquinoline.

Molecular Properties

Compound Name3-(3-isoquinolin-3-ylpropyl)isoquinoline
PubChem CID11141061
Molecular FormulaC21H18N2
Molecular Weight298.39 g/mol
Exact Mass298.15
IUPAC Name3-(3-isoquinolin-3-ylpropyl)isoquinoline
SMILESc1ccc2cc(CCCc3cc4ccccc4cn3)ncc2c1
InChIInChI=1S/C21H18N2/c1-3-8-18-14-22-20(12-16(18)6-1)10-5-11-21-13-17-7-2-4-9-19(17)15-23-21/h1-4,6-9,12-15H,5,10-11H2
InChIKeyDIYDJAIBBVHHPL-UHFFFAOYSA-N
XLogP4.96
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3-isoquinolin-3-ylpropyl)isoquinoline?
The IUPAC name of 3-(3-isoquinolin-3-ylpropyl)isoquinoline (CID 11141061) is 3-(3-isoquinolin-3-ylpropyl)isoquinoline.
What is the SMILES notation for 3-(3-isoquinolin-3-ylpropyl)isoquinoline?
The canonical SMILES for 3-(3-isoquinolin-3-ylpropyl)isoquinoline is c1ccc2cc(CCCc3cc4ccccc4cn3)ncc2c1.
What is the InChIKey of 3-(3-isoquinolin-3-ylpropyl)isoquinoline?
The InChIKey is DIYDJAIBBVHHPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2/c1-3-8-18-14-22-20(12-16(18)6-1)10-5-11-21-13-17-7-2-4-9-19(17)15-23-21/h1-4,6-9,12-15H,5,10-11H2.
What are the key properties of 3-(3-isoquinolin-3-ylpropyl)isoquinoline?
3-(3-isoquinolin-3-ylpropyl)isoquinoline has a molecular weight of 298.39 g/mol, XLogP of 4.96, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-isoquinolin-3-ylpropyl)isoquinoline is sourced from PubChem (CID 11141061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).