8-ethoxy-5-isoquinolin-1-ylquinoline

C20H16N2O — CID 18784017

IUPAC8-ethoxy-5-isoquinolin-1-ylquinoline
SMILESCCOc1ccc(-c2nccc3ccccc23)c2cccnc12
InChIInChI=1S/C20H16N2O/c1-2-23-18-10-9-17(16-8-5-12-21-20(16)18)19-15-7-4-3-6-14(15)11-13-22-19/h3-13H,2H2,1H3
InChIKeyCWULHTJKIAETLC-UHFFFAOYSA-N
MW300.36 g/mol
LogP4.85
Rot. Bonds3

About 8-ethoxy-5-isoquinolin-1-ylquinoline

8-ethoxy-5-isoquinolin-1-ylquinoline (PubChem CID 18784017) has the molecular formula C20H16N2O and a molecular weight of 300.36 g/mol. Its IUPAC name is 8-ethoxy-5-isoquinolin-1-ylquinoline.

Molecular Properties

Compound Name8-ethoxy-5-isoquinolin-1-ylquinoline
PubChem CID18784017
Molecular FormulaC20H16N2O
Molecular Weight300.36 g/mol
Exact Mass300.13
IUPAC Name8-ethoxy-5-isoquinolin-1-ylquinoline
SMILESCCOc1ccc(-c2nccc3ccccc23)c2cccnc12
InChIInChI=1S/C20H16N2O/c1-2-23-18-10-9-17(16-8-5-12-21-20(16)18)19-15-7-4-3-6-14(15)11-13-22-19/h3-13H,2H2,1H3
InChIKeyCWULHTJKIAETLC-UHFFFAOYSA-N
XLogP4.85
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 8-ethoxy-5-isoquinolin-1-ylquinoline 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 8-ethoxy-5-isoquinolin-1-ylquinoline?
The IUPAC name of 8-ethoxy-5-isoquinolin-1-ylquinoline (CID 18784017) is 8-ethoxy-5-isoquinolin-1-ylquinoline.
What is the SMILES notation for 8-ethoxy-5-isoquinolin-1-ylquinoline?
The canonical SMILES for 8-ethoxy-5-isoquinolin-1-ylquinoline is CCOc1ccc(-c2nccc3ccccc23)c2cccnc12.
What is the InChIKey of 8-ethoxy-5-isoquinolin-1-ylquinoline?
The InChIKey is CWULHTJKIAETLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O/c1-2-23-18-10-9-17(16-8-5-12-21-20(16)18)19-15-7-4-3-6-14(15)11-13-22-19/h3-13H,2H2,1H3.
What are the key properties of 8-ethoxy-5-isoquinolin-1-ylquinoline?
8-ethoxy-5-isoquinolin-1-ylquinoline has a molecular weight of 300.36 g/mol, XLogP of 4.85, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethoxy-5-isoquinolin-1-ylquinoline is sourced from PubChem (CID 18784017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).