3-methyl-7-(2-methylphenyl)isoquinoline

C17H15N — CID 129170421

IUPAC3-methyl-7-(2-methylphenyl)isoquinoline
SMILESCc1cc2ccc(-c3ccccc3C)cc2cn1
InChIInChI=1S/C17H15N/c1-12-5-3-4-6-17(12)15-8-7-14-9-13(2)18-11-16(14)10-15/h3-11H,1-2H3
InChIKeyFBYDLKXVAMWOAF-UHFFFAOYSA-N
MW233.31 g/mol
LogP4.52
Rot. Bonds1

About 3-methyl-7-(2-methylphenyl)isoquinoline

3-methyl-7-(2-methylphenyl)isoquinoline (PubChem CID 129170421) has the molecular formula C17H15N and a molecular weight of 233.31 g/mol. Its IUPAC name is 3-methyl-7-(2-methylphenyl)isoquinoline.

Molecular Properties

Compound Name3-methyl-7-(2-methylphenyl)isoquinoline
PubChem CID129170421
Molecular FormulaC17H15N
Molecular Weight233.31 g/mol
Exact Mass233.12
IUPAC Name3-methyl-7-(2-methylphenyl)isoquinoline
SMILESCc1cc2ccc(-c3ccccc3C)cc2cn1
InChIInChI=1S/C17H15N/c1-12-5-3-4-6-17(12)15-8-7-14-9-13(2)18-11-16(14)10-15/h3-11H,1-2H3
InChIKeyFBYDLKXVAMWOAF-UHFFFAOYSA-N
XLogP4.52
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[4-methyl-3-(3-methylisoquinolin-7-yl)phenyl]ethenamine
CID 129169955
azane;2-(2,3-dimethylphenyl)naphthalene
CID 175360237
2-(2-fluoro-3-methylphenyl)naphthalene
CID 167454716
3-(3-methylisoquinolin-7-yl)-1,2-oxazol-5-amine
CID 117323198
4-(6-methylnaphthalen-2-yl)-2-(2-methylphenyl)pyridine
CID 140825758
1,4-bis[2-methyl-5-(2-methylphenyl)phenyl]-2,5-bis(2-methylphenyl)benzene
CID 59609351
ethane;1,3,5-tris(2-methylphenyl)benzene
CID 157145659
2-(2,5-dimethylphenyl)naphthalene
CID 59648717
6-(2-methylphenyl)naphthalen-1-ol
CID 71167346
2-methoxy-6-(2-methylphenyl)-3-methylsulfanylnaphthalene
CID 140625350
5-(2-methylphenyl)pyrimidin-2-amine
CID 11309934
2,5-dimethyl-4-phenylpyridine
CID 603086

Frequently Asked Questions

What is the IUPAC name of 3-methyl-7-(2-methylphenyl)isoquinoline?
The IUPAC name of 3-methyl-7-(2-methylphenyl)isoquinoline (CID 129170421) is 3-methyl-7-(2-methylphenyl)isoquinoline.
What is the SMILES notation for 3-methyl-7-(2-methylphenyl)isoquinoline?
The canonical SMILES for 3-methyl-7-(2-methylphenyl)isoquinoline is Cc1cc2ccc(-c3ccccc3C)cc2cn1.
What is the InChIKey of 3-methyl-7-(2-methylphenyl)isoquinoline?
The InChIKey is FBYDLKXVAMWOAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N/c1-12-5-3-4-6-17(12)15-8-7-14-9-13(2)18-11-16(14)10-15/h3-11H,1-2H3.
What are the key properties of 3-methyl-7-(2-methylphenyl)isoquinoline?
3-methyl-7-(2-methylphenyl)isoquinoline has a molecular weight of 233.31 g/mol, XLogP of 4.52, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-7-(2-methylphenyl)isoquinoline is sourced from PubChem (CID 129170421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).