6-(3-methyl-5-pyrazin-2-ylphenyl)isoquinoline

C20H15N3 — CID 144553859

IUPAC6-(3-methyl-5-pyrazin-2-ylphenyl)isoquinoline
SMILESCc1cc(-c2ccc3cnccc3c2)cc(-c2cnccn2)c1
InChIInChI=1S/C20H15N3/c1-14-8-18(11-19(9-14)20-13-22-6-7-23-20)15-2-3-17-12-21-5-4-16(17)10-15/h2-13H,1H3
InChIKeyMTUKNEMXOBIPAN-UHFFFAOYSA-N
MW297.36 g/mol
LogP4.67
Rot. Bonds2

About 6-(3-methyl-5-pyrazin-2-ylphenyl)isoquinoline

6-(3-methyl-5-pyrazin-2-ylphenyl)isoquinoline (PubChem CID 144553859) has the molecular formula C20H15N3 and a molecular weight of 297.36 g/mol. Its IUPAC name is 6-(3-methyl-5-pyrazin-2-ylphenyl)isoquinoline.

Molecular Properties

Compound Name6-(3-methyl-5-pyrazin-2-ylphenyl)isoquinoline
PubChem CID144553859
Molecular FormulaC20H15N3
Molecular Weight297.36 g/mol
Exact Mass297.13
IUPAC Name6-(3-methyl-5-pyrazin-2-ylphenyl)isoquinoline
SMILESCc1cc(-c2ccc3cnccc3c2)cc(-c2cnccn2)c1
InChIInChI=1S/C20H15N3/c1-14-8-18(11-19(9-14)20-13-22-6-7-23-20)15-2-3-17-12-21-5-4-16(17)10-15/h2-13H,1H3
InChIKeyMTUKNEMXOBIPAN-UHFFFAOYSA-N
XLogP4.67
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methyl-5-pyridin-4-ylphenyl)pyrazine
CID 144553900
2-(3-methyl-5-pyridin-2-ylphenyl)pyrazine
CID 144553934
2-[3,5-bis(4-pyrazin-2-ylphenyl)phenyl]-4,6-bis(4-methylphenyl)-1,3,5-triazine
CID 58382626
4-[4-[6-(3,5-dimethylphenyl)naphthalen-2-yl]phenyl]pyridine
CID 170289207
3-methyl-5-pyrazin-2-ylaniline
CID 107579564
6-naphthalen-2-ylisoquinoline
CID 59724414
ethane;6-methylisoquinoline
CID 145106291
6-[2,6-di(anthracen-2-yl)-4-pyridinyl]isoquinoline
CID 154599146
2-(3,4,5-trimethylphenyl)pyrazine
CID 126550614
5-(3-methyl-5-pyrazin-2-ylphenyl)quinoline
CID 144553787
2-(4-bromo-3,5-dimethylphenyl)pyrazine
CID 86697321
6-[2,6-di(anthracen-9-yl)-4-pyridinyl]isoquinoline
CID 154599243

Frequently Asked Questions

What is the IUPAC name of 6-(3-methyl-5-pyrazin-2-ylphenyl)isoquinoline?
The IUPAC name of 6-(3-methyl-5-pyrazin-2-ylphenyl)isoquinoline (CID 144553859) is 6-(3-methyl-5-pyrazin-2-ylphenyl)isoquinoline.
What is the SMILES notation for 6-(3-methyl-5-pyrazin-2-ylphenyl)isoquinoline?
The canonical SMILES for 6-(3-methyl-5-pyrazin-2-ylphenyl)isoquinoline is Cc1cc(-c2ccc3cnccc3c2)cc(-c2cnccn2)c1.
What is the InChIKey of 6-(3-methyl-5-pyrazin-2-ylphenyl)isoquinoline?
The InChIKey is MTUKNEMXOBIPAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3/c1-14-8-18(11-19(9-14)20-13-22-6-7-23-20)15-2-3-17-12-21-5-4-16(17)10-15/h2-13H,1H3.
What are the key properties of 6-(3-methyl-5-pyrazin-2-ylphenyl)isoquinoline?
6-(3-methyl-5-pyrazin-2-ylphenyl)isoquinoline has a molecular weight of 297.36 g/mol, XLogP of 4.67, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methyl-5-pyrazin-2-ylphenyl)isoquinoline is sourced from PubChem (CID 144553859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).