4-[(6-phenyl-3-pyridinyl)methyl]isoquinoline

C21H16N2 — CID 57330011

IUPAC4-[(6-phenyl-3-pyridinyl)methyl]isoquinoline
SMILESc1ccc(-c2ccc(Cc3cncc4ccccc34)cn2)cc1
InChIInChI=1S/C21H16N2/c1-2-6-17(7-3-1)21-11-10-16(13-23-21)12-19-15-22-14-18-8-4-5-9-20(18)19/h1-11,13-15H,12H2
InChIKeyLPRYWGVPSXLATN-UHFFFAOYSA-N
MW296.37 g/mol
LogP4.89
Rot. Bonds3

About 4-[(6-phenyl-3-pyridinyl)methyl]isoquinoline

4-[(6-phenyl-3-pyridinyl)methyl]isoquinoline (PubChem CID 57330011) has the molecular formula C21H16N2 and a molecular weight of 296.37 g/mol. Its IUPAC name is 4-[(6-phenyl-3-pyridinyl)methyl]isoquinoline.

Molecular Properties

Compound Name4-[(6-phenyl-3-pyridinyl)methyl]isoquinoline
PubChem CID57330011
Molecular FormulaC21H16N2
Molecular Weight296.37 g/mol
Exact Mass296.13
IUPAC Name4-[(6-phenyl-3-pyridinyl)methyl]isoquinoline
SMILESc1ccc(-c2ccc(Cc3cncc4ccccc34)cn2)cc1
InChIInChI=1S/C21H16N2/c1-2-6-17(7-3-1)21-11-10-16(13-23-21)12-19-15-22-14-18-8-4-5-9-20(18)19/h1-11,13-15H,12H2
InChIKeyLPRYWGVPSXLATN-UHFFFAOYSA-N
XLogP4.89
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(6-phenyl-3-pyridinyl)methyl]isoquinoline?
The IUPAC name of 4-[(6-phenyl-3-pyridinyl)methyl]isoquinoline (CID 57330011) is 4-[(6-phenyl-3-pyridinyl)methyl]isoquinoline.
What is the SMILES notation for 4-[(6-phenyl-3-pyridinyl)methyl]isoquinoline?
The canonical SMILES for 4-[(6-phenyl-3-pyridinyl)methyl]isoquinoline is c1ccc(-c2ccc(Cc3cncc4ccccc34)cn2)cc1.
What is the InChIKey of 4-[(6-phenyl-3-pyridinyl)methyl]isoquinoline?
The InChIKey is LPRYWGVPSXLATN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2/c1-2-6-17(7-3-1)21-11-10-16(13-23-21)12-19-15-22-14-18-8-4-5-9-20(18)19/h1-11,13-15H,12H2.
What are the key properties of 4-[(6-phenyl-3-pyridinyl)methyl]isoquinoline?
4-[(6-phenyl-3-pyridinyl)methyl]isoquinoline has a molecular weight of 296.37 g/mol, XLogP of 4.89, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-phenyl-3-pyridinyl)methyl]isoquinoline is sourced from PubChem (CID 57330011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).