3,4-diethyl-6-methylisoquinoline

C14H17N — CID 71723955

IUPAC3,4-diethyl-6-methylisoquinoline
SMILESCCc1ncc2ccc(C)cc2c1CC
InChIInChI=1S/C14H17N/c1-4-12-13-8-10(3)6-7-11(13)9-15-14(12)5-2/h6-9H,4-5H2,1-3H3
InChIKeyYQJLXMWPJJSWLB-UHFFFAOYSA-N
MW199.30 g/mol
LogP3.67
Rot. Bonds2

About 3,4-diethyl-6-methylisoquinoline

3,4-diethyl-6-methylisoquinoline (PubChem CID 71723955) has the molecular formula C14H17N and a molecular weight of 199.30 g/mol. Its IUPAC name is 3,4-diethyl-6-methylisoquinoline.

Molecular Properties

Compound Name3,4-diethyl-6-methylisoquinoline
PubChem CID71723955
Molecular FormulaC14H17N
Molecular Weight199.30 g/mol
Exact Mass199.14
IUPAC Name3,4-diethyl-6-methylisoquinoline
SMILESCCc1ncc2ccc(C)cc2c1CC
InChIInChI=1S/C14H17N/c1-4-12-13-8-10(3)6-7-11(13)9-15-14(12)5-2/h6-9H,4-5H2,1-3H3
InChIKeyYQJLXMWPJJSWLB-UHFFFAOYSA-N
XLogP3.67
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,4-diethyl-6-methylisoquinoline?
The IUPAC name of 3,4-diethyl-6-methylisoquinoline (CID 71723955) is 3,4-diethyl-6-methylisoquinoline.
What is the SMILES notation for 3,4-diethyl-6-methylisoquinoline?
The canonical SMILES for 3,4-diethyl-6-methylisoquinoline is CCc1ncc2ccc(C)cc2c1CC.
What is the InChIKey of 3,4-diethyl-6-methylisoquinoline?
The InChIKey is YQJLXMWPJJSWLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N/c1-4-12-13-8-10(3)6-7-11(13)9-15-14(12)5-2/h6-9H,4-5H2,1-3H3.
What are the key properties of 3,4-diethyl-6-methylisoquinoline?
3,4-diethyl-6-methylisoquinoline has a molecular weight of 199.30 g/mol, XLogP of 3.67, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diethyl-6-methylisoquinoline is sourced from PubChem (CID 71723955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).