1,5,7,8-tetramethylisoquinoline

C13H15N — CID 163662855

IUPAC1,5,7,8-tetramethylisoquinoline
SMILESCc1cc(C)c2ccnc(C)c2c1C
InChIInChI=1S/C13H15N/c1-8-7-9(2)12-5-6-14-11(4)13(12)10(8)3/h5-7H,1-4H3
InChIKeyYDLLCLWTYIOFGR-UHFFFAOYSA-N
MW185.27 g/mol
LogP3.47
Rot. Bonds

About 1,5,7,8-tetramethylisoquinoline

1,5,7,8-tetramethylisoquinoline (PubChem CID 163662855) has the molecular formula C13H15N and a molecular weight of 185.27 g/mol. Its IUPAC name is 1,5,7,8-tetramethylisoquinoline.

Molecular Properties

Compound Name1,5,7,8-tetramethylisoquinoline
PubChem CID163662855
Molecular FormulaC13H15N
Molecular Weight185.27 g/mol
Exact Mass185.12
IUPAC Name1,5,7,8-tetramethylisoquinoline
SMILESCc1cc(C)c2ccnc(C)c2c1C
InChIInChI=1S/C13H15N/c1-8-7-9(2)12-5-6-14-11(4)13(12)10(8)3/h5-7H,1-4H3
InChIKeyYDLLCLWTYIOFGR-UHFFFAOYSA-N
XLogP3.47
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,5,7,8-tetramethylisoquinoline?
The IUPAC name of 1,5,7,8-tetramethylisoquinoline (CID 163662855) is 1,5,7,8-tetramethylisoquinoline.
What is the SMILES notation for 1,5,7,8-tetramethylisoquinoline?
The canonical SMILES for 1,5,7,8-tetramethylisoquinoline is Cc1cc(C)c2ccnc(C)c2c1C.
What is the InChIKey of 1,5,7,8-tetramethylisoquinoline?
The InChIKey is YDLLCLWTYIOFGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N/c1-8-7-9(2)12-5-6-14-11(4)13(12)10(8)3/h5-7H,1-4H3.
What are the key properties of 1,5,7,8-tetramethylisoquinoline?
1,5,7,8-tetramethylisoquinoline has a molecular weight of 185.27 g/mol, XLogP of 3.47, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5,7,8-tetramethylisoquinoline is sourced from PubChem (CID 163662855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).