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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Related Compounds

6-propan-2-yl-1-(2,3,5-trimethylphenyl)isoquinoline
CID 130343559
6-(2-methylpropyl)-1-(2,3,5-trimethylphenyl)isoquinoline
CID 147107503
1-(2,5-dimethylphenyl)-7-propan-2-ylisoquinoline
CID 118074690
1,7-dimethylisoquinoline
CID 59050335
1-(4-bromophenyl)-7-methylisoquinoline
CID 151267049
1-fluoro-7-methylisoquinoline
CID 150517558
N,7-dimethylisoquinolin-1-amine
CID 59108894
1-(2,5-dimethylphenyl)-2,9-phenanthroline
CID 67025184
7-methylisoquinolin-1-amine
CID 18727905
CID 174060944
CID 174060944
1-(4-fluoro-2,3,5-trimethylphenyl)-7-propan-2-ylisoquinoline
CID 166878735
7-methylisoquinolin-1-amine;propane
CID 142933220

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).