7-methyl-1-(2,3,5-trimethylphenyl)isoquinoline

C19H19N — CID 58892513

IUPAC7-methyl-1-(2,3,5-trimethylphenyl)isoquinoline
SMILESCc1cc(C)c(C)c(-c2nccc3ccc(C)cc23)c1
InChIInChI=1S/C19H19N/c1-12-5-6-16-7-8-20-19(18(16)10-12)17-11-13(2)9-14(3)15(17)4/h5-11H,1-4H3
InChIKeyYYJDCKVGKPWXAD-UHFFFAOYSA-N
MW261.37 g/mol
LogP5.14
Rot. Bonds1

About 7-methyl-1-(2,3,5-trimethylphenyl)isoquinoline

7-methyl-1-(2,3,5-trimethylphenyl)isoquinoline (PubChem CID 58892513) has the molecular formula C19H19N and a molecular weight of 261.37 g/mol. Its IUPAC name is 7-methyl-1-(2,3,5-trimethylphenyl)isoquinoline.

Molecular Properties

Compound Name7-methyl-1-(2,3,5-trimethylphenyl)isoquinoline
PubChem CID58892513
Molecular FormulaC19H19N
Molecular Weight261.37 g/mol
Exact Mass261.15
IUPAC Name7-methyl-1-(2,3,5-trimethylphenyl)isoquinoline
SMILESCc1cc(C)c(C)c(-c2nccc3ccc(C)cc23)c1
InChIInChI=1S/C19H19N/c1-12-5-6-16-7-8-20-19(18(16)10-12)17-11-13(2)9-14(3)15(17)4/h5-11H,1-4H3
InChIKeyYYJDCKVGKPWXAD-UHFFFAOYSA-N
XLogP5.14
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500261.37
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-1-(2,3,5-trimethylphenyl)isoquinoline?
The IUPAC name of 7-methyl-1-(2,3,5-trimethylphenyl)isoquinoline (CID 58892513) is 7-methyl-1-(2,3,5-trimethylphenyl)isoquinoline.
What is the SMILES notation for 7-methyl-1-(2,3,5-trimethylphenyl)isoquinoline?
The canonical SMILES for 7-methyl-1-(2,3,5-trimethylphenyl)isoquinoline is Cc1cc(C)c(C)c(-c2nccc3ccc(C)cc23)c1.
What is the InChIKey of 7-methyl-1-(2,3,5-trimethylphenyl)isoquinoline?
The InChIKey is YYJDCKVGKPWXAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N/c1-12-5-6-16-7-8-20-19(18(16)10-12)17-11-13(2)9-14(3)15(17)4/h5-11H,1-4H3.
What are the key properties of 7-methyl-1-(2,3,5-trimethylphenyl)isoquinoline?
7-methyl-1-(2,3,5-trimethylphenyl)isoquinoline has a molecular weight of 261.37 g/mol, XLogP of 5.14, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-1-(2,3,5-trimethylphenyl)isoquinoline is sourced from PubChem (CID 58892513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).