6-(4-ethyl-3-pyridinyl)-8-methylisoquinolin-3-amine

C17H17N3 — CID 142447924

IUPAC6-(4-ethyl-3-pyridinyl)-8-methylisoquinolin-3-amine
SMILESCCc1ccncc1-c1cc(C)c2cnc(N)cc2c1
InChIInChI=1S/C17H17N3/c1-3-12-4-5-19-9-16(12)13-6-11(2)15-10-20-17(18)8-14(15)7-13/h4-10H,3H2,1-2H3,(H2,18,20)
InChIKeyJIJLGTUECIWANS-UHFFFAOYSA-N
MW263.34 g/mol
LogP3.75
Rot. Bonds2

About 6-(4-ethyl-3-pyridinyl)-8-methylisoquinolin-3-amine

6-(4-ethyl-3-pyridinyl)-8-methylisoquinolin-3-amine (PubChem CID 142447924) has the molecular formula C17H17N3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 6-(4-ethyl-3-pyridinyl)-8-methylisoquinolin-3-amine.

Molecular Properties

Compound Name6-(4-ethyl-3-pyridinyl)-8-methylisoquinolin-3-amine
PubChem CID142447924
Molecular FormulaC17H17N3
Molecular Weight263.34 g/mol
Exact Mass263.14
IUPAC Name6-(4-ethyl-3-pyridinyl)-8-methylisoquinolin-3-amine
SMILESCCc1ccncc1-c1cc(C)c2cnc(N)cc2c1
InChIInChI=1S/C17H17N3/c1-3-12-4-5-19-9-16(12)13-6-11(2)15-10-20-17(18)8-14(15)7-13/h4-10H,3H2,1-2H3,(H2,18,20)
InChIKeyJIJLGTUECIWANS-UHFFFAOYSA-N
XLogP3.75
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-(4-ethyl-3-pyridinyl)-8-methylisoquinolin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(4-ethyl-3-pyridinyl)-8-methylisoquinolin-3-amine?
The IUPAC name of 6-(4-ethyl-3-pyridinyl)-8-methylisoquinolin-3-amine (CID 142447924) is 6-(4-ethyl-3-pyridinyl)-8-methylisoquinolin-3-amine.
What is the SMILES notation for 6-(4-ethyl-3-pyridinyl)-8-methylisoquinolin-3-amine?
The canonical SMILES for 6-(4-ethyl-3-pyridinyl)-8-methylisoquinolin-3-amine is CCc1ccncc1-c1cc(C)c2cnc(N)cc2c1.
What is the InChIKey of 6-(4-ethyl-3-pyridinyl)-8-methylisoquinolin-3-amine?
The InChIKey is JIJLGTUECIWANS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3/c1-3-12-4-5-19-9-16(12)13-6-11(2)15-10-20-17(18)8-14(15)7-13/h4-10H,3H2,1-2H3,(H2,18,20).
What are the key properties of 6-(4-ethyl-3-pyridinyl)-8-methylisoquinolin-3-amine?
6-(4-ethyl-3-pyridinyl)-8-methylisoquinolin-3-amine has a molecular weight of 263.34 g/mol, XLogP of 3.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-ethyl-3-pyridinyl)-8-methylisoquinolin-3-amine is sourced from PubChem (CID 142447924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).