6-(isoquinolin-5-ylmethyl)-8-methylisoquinoline

C20H16N2 — CID 167020685

IUPAC6-(isoquinolin-5-ylmethyl)-8-methylisoquinoline
SMILESCc1cc(Cc2cccc3cnccc23)cc2ccncc12
InChIInChI=1S/C20H16N2/c1-14-9-15(11-17-5-7-22-13-20(14)17)10-16-3-2-4-18-12-21-8-6-19(16)18/h2-9,11-13H,10H2,1H3
InChIKeyPXMIIAHLWOJHFW-UHFFFAOYSA-N
MW284.36 g/mol
LogP4.68
Rot. Bonds2

About 6-(isoquinolin-5-ylmethyl)-8-methylisoquinoline

6-(isoquinolin-5-ylmethyl)-8-methylisoquinoline (PubChem CID 167020685) has the molecular formula C20H16N2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 6-(isoquinolin-5-ylmethyl)-8-methylisoquinoline.

Molecular Properties

Compound Name6-(isoquinolin-5-ylmethyl)-8-methylisoquinoline
PubChem CID167020685
Molecular FormulaC20H16N2
Molecular Weight284.36 g/mol
Exact Mass284.13
IUPAC Name6-(isoquinolin-5-ylmethyl)-8-methylisoquinoline
SMILESCc1cc(Cc2cccc3cnccc23)cc2ccncc12
InChIInChI=1S/C20H16N2/c1-14-9-15(11-17-5-7-22-13-20(14)17)10-16-3-2-4-18-12-21-8-6-19(16)18/h2-9,11-13H,10H2,1H3
InChIKeyPXMIIAHLWOJHFW-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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Related Compounds

3-(isoquinolin-6-ylmethyl)-8-methylisoquinoline
CID 126637553
9-methylbenzo[g]isoquinoline
CID 167164777
6,8-dimethylisoquinoline;ethane
CID 143881412
4-chloro-N-(isoquinolin-5-ylmethyl)-2-methylaniline
CID 62823888
3-[(2-methylphenyl)methyl]-2,7-naphthyridin-1-amine
CID 23467752
2-isoquinolin-5-ylacetamide
CID 68785768
8-ethylisoquinoline;5-propan-2-ylisoquinoline
CID 169235936
3-isoquinolin-5-yl-2,2-dimethylpropan-1-amine
CID 82576951
1-isoquinolin-6-yl-N-[(2-methylphenyl)methyl]methanamine
CID 107038031
(3-isoquinolin-5-yl-4-methylphenyl)methanamine
CID 105408745
3-[(2-methylphenyl)methyl]-2,6-naphthyridin-1-amine
CID 23467640
1-isoquinolin-8-yl-N-methyl-1-(2-methylphenyl)methanamine
CID 103136230

Frequently Asked Questions

What is the IUPAC name of 6-(isoquinolin-5-ylmethyl)-8-methylisoquinoline?
The IUPAC name of 6-(isoquinolin-5-ylmethyl)-8-methylisoquinoline (CID 167020685) is 6-(isoquinolin-5-ylmethyl)-8-methylisoquinoline.
What is the SMILES notation for 6-(isoquinolin-5-ylmethyl)-8-methylisoquinoline?
The canonical SMILES for 6-(isoquinolin-5-ylmethyl)-8-methylisoquinoline is Cc1cc(Cc2cccc3cnccc23)cc2ccncc12.
What is the InChIKey of 6-(isoquinolin-5-ylmethyl)-8-methylisoquinoline?
The InChIKey is PXMIIAHLWOJHFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2/c1-14-9-15(11-17-5-7-22-13-20(14)17)10-16-3-2-4-18-12-21-8-6-19(16)18/h2-9,11-13H,10H2,1H3.
What are the key properties of 6-(isoquinolin-5-ylmethyl)-8-methylisoquinoline?
6-(isoquinolin-5-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 6-(isoquinolin-5-ylmethyl)-8-methylisoquinoline is sourced from PubChem (CID 167020685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).