1-(4-pyridin-2-ylphenyl)isoquinoline

C20H14N2 — CID 58947156

IUPAC1-(4-pyridin-2-ylphenyl)isoquinoline
SMILESc1ccc(-c2ccc(-c3nccc4ccccc34)cc2)nc1
InChIInChI=1S/C20H14N2/c1-2-6-18-15(5-1)12-14-22-20(18)17-10-8-16(9-11-17)19-7-3-4-13-21-19/h1-14H
InChIKeyUSASMLNBXLLFOC-UHFFFAOYSA-N
MW282.35 g/mol
LogP4.96
Rot. Bonds2

About 1-(4-pyridin-2-ylphenyl)isoquinoline

1-(4-pyridin-2-ylphenyl)isoquinoline (PubChem CID 58947156) has the molecular formula C20H14N2 and a molecular weight of 282.35 g/mol. Its IUPAC name is 1-(4-pyridin-2-ylphenyl)isoquinoline.

Molecular Properties

Compound Name1-(4-pyridin-2-ylphenyl)isoquinoline
PubChem CID58947156
Molecular FormulaC20H14N2
Molecular Weight282.35 g/mol
Exact Mass282.12
IUPAC Name1-(4-pyridin-2-ylphenyl)isoquinoline
SMILESc1ccc(-c2ccc(-c3nccc4ccccc34)cc2)nc1
InChIInChI=1S/C20H14N2/c1-2-6-18-15(5-1)12-14-22-20(18)17-10-8-16(9-11-17)19-7-3-4-13-21-19/h1-14H
InChIKeyUSASMLNBXLLFOC-UHFFFAOYSA-N
XLogP4.96
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-pyridin-2-ylphenyl)isoquinoline?
The IUPAC name of 1-(4-pyridin-2-ylphenyl)isoquinoline (CID 58947156) is 1-(4-pyridin-2-ylphenyl)isoquinoline.
What is the SMILES notation for 1-(4-pyridin-2-ylphenyl)isoquinoline?
The canonical SMILES for 1-(4-pyridin-2-ylphenyl)isoquinoline is c1ccc(-c2ccc(-c3nccc4ccccc34)cc2)nc1.
What is the InChIKey of 1-(4-pyridin-2-ylphenyl)isoquinoline?
The InChIKey is USASMLNBXLLFOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N2/c1-2-6-18-15(5-1)12-14-22-20(18)17-10-8-16(9-11-17)19-7-3-4-13-21-19/h1-14H.
What are the key properties of 1-(4-pyridin-2-ylphenyl)isoquinoline?
1-(4-pyridin-2-ylphenyl)isoquinoline has a molecular weight of 282.35 g/mol, XLogP of 4.96, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-pyridin-2-ylphenyl)isoquinoline is sourced from PubChem (CID 58947156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).