5-(3-methyl-5-pyridin-3-ylphenyl)isoquinoline

C21H16N2 — CID 144553782

IUPAC5-(3-methyl-5-pyridin-3-ylphenyl)isoquinoline
SMILESCc1cc(-c2cccnc2)cc(-c2cccc3cnccc23)c1
InChIInChI=1S/C21H16N2/c1-15-10-18(16-5-3-8-22-13-16)12-19(11-15)20-6-2-4-17-14-23-9-7-21(17)20/h2-14H,1H3
InChIKeyFVNRTRUJUJMSFJ-UHFFFAOYSA-N
MW296.37 g/mol
LogP5.27
Rot. Bonds2

About 5-(3-methyl-5-pyridin-3-ylphenyl)isoquinoline

5-(3-methyl-5-pyridin-3-ylphenyl)isoquinoline (PubChem CID 144553782) has the molecular formula C21H16N2 and a molecular weight of 296.37 g/mol. Its IUPAC name is 5-(3-methyl-5-pyridin-3-ylphenyl)isoquinoline.

Molecular Properties

Compound Name5-(3-methyl-5-pyridin-3-ylphenyl)isoquinoline
PubChem CID144553782
Molecular FormulaC21H16N2
Molecular Weight296.37 g/mol
Exact Mass296.13
IUPAC Name5-(3-methyl-5-pyridin-3-ylphenyl)isoquinoline
SMILESCc1cc(-c2cccnc2)cc(-c2cccc3cnccc23)c1
InChIInChI=1S/C21H16N2/c1-15-10-18(16-5-3-8-22-13-16)12-19(11-15)20-6-2-4-17-14-23-9-7-21(17)20/h2-14H,1H3
InChIKeyFVNRTRUJUJMSFJ-UHFFFAOYSA-N
XLogP5.27
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.37
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[3-methyl-5-(4-methylphenyl)phenyl]pyridine
CID 130388822
5-pyrimidin-5-ylisoquinoline
CID 141337488
3-[3-[6-(3-methylphenyl)dibenzofuran-4-yl]-5-pyridin-3-ylphenyl]pyridine
CID 175610202
5-(3-chlorophenyl)isoquinoline
CID 23602252
5-[3-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)-5-isoquinolin-5-ylphenyl]isoquinoline
CID 118582355
1-(3-methyl-5-naphthalen-1-ylphenyl)naphthalene
CID 59171646
5-(5-bromo-3-pyridinyl)isoquinoline
CID 172649263
5-isoquinolin-5-ylpyridin-3-ol
CID 83130626
2-(3-naphthalen-1-ylphenyl)-4-(4-phenylphenyl)-6-(4-pyridin-3-ylphenyl)pyridine
CID 134320914
3-methyl-5-(5-pyridin-3-yl-3-pyridinyl)pyridine
CID 170233955
benzene;3-[3-[3-(3,5-dipyridin-3-ylphenyl)phenyl]-5-pyridin-3-ylphenyl]pyridine
CID 158338475
3-(5-pyridin-3-ylnaphthalen-1-yl)pyridine
CID 169050404

Frequently Asked Questions

What is the IUPAC name of 5-(3-methyl-5-pyridin-3-ylphenyl)isoquinoline?
The IUPAC name of 5-(3-methyl-5-pyridin-3-ylphenyl)isoquinoline (CID 144553782) is 5-(3-methyl-5-pyridin-3-ylphenyl)isoquinoline.
What is the SMILES notation for 5-(3-methyl-5-pyridin-3-ylphenyl)isoquinoline?
The canonical SMILES for 5-(3-methyl-5-pyridin-3-ylphenyl)isoquinoline is Cc1cc(-c2cccnc2)cc(-c2cccc3cnccc23)c1.
What is the InChIKey of 5-(3-methyl-5-pyridin-3-ylphenyl)isoquinoline?
The InChIKey is FVNRTRUJUJMSFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2/c1-15-10-18(16-5-3-8-22-13-16)12-19(11-15)20-6-2-4-17-14-23-9-7-21(17)20/h2-14H,1H3.
What are the key properties of 5-(3-methyl-5-pyridin-3-ylphenyl)isoquinoline?
5-(3-methyl-5-pyridin-3-ylphenyl)isoquinoline has a molecular weight of 296.37 g/mol, XLogP of 5.27, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methyl-5-pyridin-3-ylphenyl)isoquinoline is sourced from PubChem (CID 144553782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).