1,7-dimethylisoquinoline

C11H11N — CID 59050335

IUPAC1,7-dimethylisoquinoline
SMILESCc1ccc2ccnc(C)c2c1
InChIInChI=1S/C11H11N/c1-8-3-4-10-5-6-12-9(2)11(10)7-8/h3-7H,1-2H3
InChIKeyONPBUAIEJAFNRR-UHFFFAOYSA-N
MW157.22 g/mol
LogP2.85
Rot. Bonds

About 1,7-dimethylisoquinoline

1,7-dimethylisoquinoline (PubChem CID 59050335) has the molecular formula C11H11N and a molecular weight of 157.22 g/mol. Its IUPAC name is 1,7-dimethylisoquinoline.

Molecular Properties

Compound Name1,7-dimethylisoquinoline
PubChem CID59050335
Molecular FormulaC11H11N
Molecular Weight157.22 g/mol
Exact Mass157.09
IUPAC Name1,7-dimethylisoquinoline
SMILESCc1ccc2ccnc(C)c2c1
InChIInChI=1S/C11H11N/c1-8-3-4-10-5-6-12-9(2)11(10)7-8/h3-7H,1-2H3
InChIKeyONPBUAIEJAFNRR-UHFFFAOYSA-N
XLogP2.85
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.22
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,7-dimethylisoquinoline?
The IUPAC name of 1,7-dimethylisoquinoline (CID 59050335) is 1,7-dimethylisoquinoline.
What is the SMILES notation for 1,7-dimethylisoquinoline?
The canonical SMILES for 1,7-dimethylisoquinoline is Cc1ccc2ccnc(C)c2c1.
What is the InChIKey of 1,7-dimethylisoquinoline?
The InChIKey is ONPBUAIEJAFNRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N/c1-8-3-4-10-5-6-12-9(2)11(10)7-8/h3-7H,1-2H3.
What are the key properties of 1,7-dimethylisoquinoline?
1,7-dimethylisoquinoline has a molecular weight of 157.22 g/mol, XLogP of 2.85, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7-dimethylisoquinoline is sourced from PubChem (CID 59050335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).