3-[6-(2-methylphenyl)-2-pyridinyl]isoquinoline

C21H16N2 — CID 58234805

IUPAC3-[6-(2-methylphenyl)-2-pyridinyl]isoquinoline
SMILESCc1ccccc1-c1cccc(-c2cc3ccccc3cn2)n1
InChIInChI=1S/C21H16N2/c1-15-7-2-5-10-18(15)19-11-6-12-20(23-19)21-13-16-8-3-4-9-17(16)14-22-21/h2-14H,1H3
InChIKeySYBIGBQJNNXLOO-UHFFFAOYSA-N
MW296.37 g/mol
LogP5.27
Rot. Bonds2

About 3-[6-(2-methylphenyl)-2-pyridinyl]isoquinoline

3-[6-(2-methylphenyl)-2-pyridinyl]isoquinoline (PubChem CID 58234805) has the molecular formula C21H16N2 and a molecular weight of 296.37 g/mol. Its IUPAC name is 3-[6-(2-methylphenyl)-2-pyridinyl]isoquinoline.

Molecular Properties

Compound Name3-[6-(2-methylphenyl)-2-pyridinyl]isoquinoline
PubChem CID58234805
Molecular FormulaC21H16N2
Molecular Weight296.37 g/mol
Exact Mass296.13
IUPAC Name3-[6-(2-methylphenyl)-2-pyridinyl]isoquinoline
SMILESCc1ccccc1-c1cccc(-c2cc3ccccc3cn2)n1
InChIInChI=1S/C21H16N2/c1-15-7-2-5-10-18(15)19-11-6-12-20(23-19)21-13-16-8-3-4-9-17(16)14-22-21/h2-14H,1H3
InChIKeySYBIGBQJNNXLOO-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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Frequently Asked Questions

What is the IUPAC name of 3-[6-(2-methylphenyl)-2-pyridinyl]isoquinoline?
The IUPAC name of 3-[6-(2-methylphenyl)-2-pyridinyl]isoquinoline (CID 58234805) is 3-[6-(2-methylphenyl)-2-pyridinyl]isoquinoline.
What is the SMILES notation for 3-[6-(2-methylphenyl)-2-pyridinyl]isoquinoline?
The canonical SMILES for 3-[6-(2-methylphenyl)-2-pyridinyl]isoquinoline is Cc1ccccc1-c1cccc(-c2cc3ccccc3cn2)n1.
What is the InChIKey of 3-[6-(2-methylphenyl)-2-pyridinyl]isoquinoline?
The InChIKey is SYBIGBQJNNXLOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2/c1-15-7-2-5-10-18(15)19-11-6-12-20(23-19)21-13-16-8-3-4-9-17(16)14-22-21/h2-14H,1H3.
What are the key properties of 3-[6-(2-methylphenyl)-2-pyridinyl]isoquinoline?
3-[6-(2-methylphenyl)-2-pyridinyl]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 3-[6-(2-methylphenyl)-2-pyridinyl]isoquinoline is sourced from PubChem (CID 58234805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).