8-ethyl-6-methylisoquinoline

C12H13N — CID 130267098

IUPAC8-ethyl-6-methylisoquinoline
SMILESCCc1cc(C)cc2ccncc12
InChIInChI=1S/C12H13N/c1-3-10-6-9(2)7-11-4-5-13-8-12(10)11/h4-8H,3H2,1-2H3
InChIKeyZAVNMMYMBMVVBH-UHFFFAOYSA-N
MW171.24 g/mol
LogP3.11
Rot. Bonds1

About 8-ethyl-6-methylisoquinoline

8-ethyl-6-methylisoquinoline (PubChem CID 130267098) has the molecular formula C12H13N and a molecular weight of 171.24 g/mol. Its IUPAC name is 8-ethyl-6-methylisoquinoline.

Molecular Properties

Compound Name8-ethyl-6-methylisoquinoline
PubChem CID130267098
Molecular FormulaC12H13N
Molecular Weight171.24 g/mol
Exact Mass171.10
IUPAC Name8-ethyl-6-methylisoquinoline
SMILESCCc1cc(C)cc2ccncc12
InChIInChI=1S/C12H13N/c1-3-10-6-9(2)7-11-4-5-13-8-12(10)11/h4-8H,3H2,1-2H3
InChIKeyZAVNMMYMBMVVBH-UHFFFAOYSA-N
XLogP3.11
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 8-ethyl-6-methylisoquinoline?
The IUPAC name of 8-ethyl-6-methylisoquinoline (CID 130267098) is 8-ethyl-6-methylisoquinoline.
What is the SMILES notation for 8-ethyl-6-methylisoquinoline?
The canonical SMILES for 8-ethyl-6-methylisoquinoline is CCc1cc(C)cc2ccncc12.
What is the InChIKey of 8-ethyl-6-methylisoquinoline?
The InChIKey is ZAVNMMYMBMVVBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N/c1-3-10-6-9(2)7-11-4-5-13-8-12(10)11/h4-8H,3H2,1-2H3.
What are the key properties of 8-ethyl-6-methylisoquinoline?
8-ethyl-6-methylisoquinoline has a molecular weight of 171.24 g/mol, XLogP of 3.11, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-6-methylisoquinoline is sourced from PubChem (CID 130267098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).