1-(2,3-dimethylphenyl)-4-methylisoquinoline

C18H17N — CID 58892475

IUPAC1-(2,3-dimethylphenyl)-4-methylisoquinoline
SMILESCc1cccc(-c2ncc(C)c3ccccc23)c1C
InChIInChI=1S/C18H17N/c1-12-7-6-10-16(14(12)3)18-17-9-5-4-8-15(17)13(2)11-19-18/h4-11H,1-3H3
InChIKeyYJADBYWEAATUAX-UHFFFAOYSA-N
MW247.34 g/mol
LogP4.83
Rot. Bonds1

About 1-(2,3-dimethylphenyl)-4-methylisoquinoline

1-(2,3-dimethylphenyl)-4-methylisoquinoline (PubChem CID 58892475) has the molecular formula C18H17N and a molecular weight of 247.34 g/mol. Its IUPAC name is 1-(2,3-dimethylphenyl)-4-methylisoquinoline.

Molecular Properties

Compound Name1-(2,3-dimethylphenyl)-4-methylisoquinoline
PubChem CID58892475
Molecular FormulaC18H17N
Molecular Weight247.34 g/mol
Exact Mass247.14
IUPAC Name1-(2,3-dimethylphenyl)-4-methylisoquinoline
SMILESCc1cccc(-c2ncc(C)c3ccccc23)c1C
InChIInChI=1S/C18H17N/c1-12-7-6-10-16(14(12)3)18-17-9-5-4-8-15(17)13(2)11-19-18/h4-11H,1-3H3
InChIKeyYJADBYWEAATUAX-UHFFFAOYSA-N
XLogP4.83
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylphenyl)-4-methylisoquinoline?
The IUPAC name of 1-(2,3-dimethylphenyl)-4-methylisoquinoline (CID 58892475) is 1-(2,3-dimethylphenyl)-4-methylisoquinoline.
What is the SMILES notation for 1-(2,3-dimethylphenyl)-4-methylisoquinoline?
The canonical SMILES for 1-(2,3-dimethylphenyl)-4-methylisoquinoline is Cc1cccc(-c2ncc(C)c3ccccc23)c1C.
What is the InChIKey of 1-(2,3-dimethylphenyl)-4-methylisoquinoline?
The InChIKey is YJADBYWEAATUAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N/c1-12-7-6-10-16(14(12)3)18-17-9-5-4-8-15(17)13(2)11-19-18/h4-11H,1-3H3.
What are the key properties of 1-(2,3-dimethylphenyl)-4-methylisoquinoline?
1-(2,3-dimethylphenyl)-4-methylisoquinoline has a molecular weight of 247.34 g/mol, XLogP of 4.83, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylphenyl)-4-methylisoquinoline is sourced from PubChem (CID 58892475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).