3-(isoquinolin-6-ylmethyl)-8-methylisoquinoline

C20H16N2 — CID 126637553

IUPAC3-(isoquinolin-6-ylmethyl)-8-methylisoquinoline
SMILESCc1cccc2cc(Cc3ccc4cnccc4c3)ncc12
InChIInChI=1S/C20H16N2/c1-14-3-2-4-17-11-19(22-13-20(14)17)10-15-5-6-18-12-21-8-7-16(18)9-15/h2-9,11-13H,10H2,1H3
InChIKeyHJFZONCGNSTBGW-UHFFFAOYSA-N
MW284.36 g/mol
LogP4.68
Rot. Bonds2

About 3-(isoquinolin-6-ylmethyl)-8-methylisoquinoline

3-(isoquinolin-6-ylmethyl)-8-methylisoquinoline (PubChem CID 126637553) has the molecular formula C20H16N2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 3-(isoquinolin-6-ylmethyl)-8-methylisoquinoline.

Molecular Properties

Compound Name3-(isoquinolin-6-ylmethyl)-8-methylisoquinoline
PubChem CID126637553
Molecular FormulaC20H16N2
Molecular Weight284.36 g/mol
Exact Mass284.13
IUPAC Name3-(isoquinolin-6-ylmethyl)-8-methylisoquinoline
SMILESCc1cccc2cc(Cc3ccc4cnccc4c3)ncc12
InChIInChI=1S/C20H16N2/c1-14-3-2-4-17-11-19(22-13-20(14)17)10-15-5-6-18-12-21-8-7-16(18)9-15/h2-9,11-13H,10H2,1H3
InChIKeyHJFZONCGNSTBGW-UHFFFAOYSA-N
XLogP4.68
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(isoquinolin-6-ylmethyl)-8-methylisoquinoline?
The IUPAC name of 3-(isoquinolin-6-ylmethyl)-8-methylisoquinoline (CID 126637553) is 3-(isoquinolin-6-ylmethyl)-8-methylisoquinoline.
What is the SMILES notation for 3-(isoquinolin-6-ylmethyl)-8-methylisoquinoline?
The canonical SMILES for 3-(isoquinolin-6-ylmethyl)-8-methylisoquinoline is Cc1cccc2cc(Cc3ccc4cnccc4c3)ncc12.
What is the InChIKey of 3-(isoquinolin-6-ylmethyl)-8-methylisoquinoline?
The InChIKey is HJFZONCGNSTBGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2/c1-14-3-2-4-17-11-19(22-13-20(14)17)10-15-5-6-18-12-21-8-7-16(18)9-15/h2-9,11-13H,10H2,1H3.
What are the key properties of 3-(isoquinolin-6-ylmethyl)-8-methylisoquinoline?
3-(isoquinolin-6-ylmethyl)-8-methylisoquinoline has a molecular weight of 284.36 g/mol, XLogP of 4.68, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(isoquinolin-6-ylmethyl)-8-methylisoquinoline is sourced from PubChem (CID 126637553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).