5-(1-ethoxyethenyl)-8-methoxyisoquinolin-3-amine

C14H16N2O2 — CID 165381018

IUPAC5-(1-ethoxyethenyl)-8-methoxyisoquinolin-3-amine
SMILESC=C(OCC)c1ccc(OC)c2cnc(N)cc12
InChIInChI=1S/C14H16N2O2/c1-4-18-9(2)10-5-6-13(17-3)12-8-16-14(15)7-11(10)12/h5-8H,2,4H2,1,3H3,(H2,15,16)
InChIKeyOZGLFNQUVNFXMI-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.83
Rot. Bonds4

About 5-(1-ethoxyethenyl)-8-methoxyisoquinolin-3-amine

5-(1-ethoxyethenyl)-8-methoxyisoquinolin-3-amine (PubChem CID 165381018) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 5-(1-ethoxyethenyl)-8-methoxyisoquinolin-3-amine.

Molecular Properties

Compound Name5-(1-ethoxyethenyl)-8-methoxyisoquinolin-3-amine
PubChem CID165381018
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name5-(1-ethoxyethenyl)-8-methoxyisoquinolin-3-amine
SMILESC=C(OCC)c1ccc(OC)c2cnc(N)cc12
InChIInChI=1S/C14H16N2O2/c1-4-18-9(2)10-5-6-13(17-3)12-8-16-14(15)7-11(10)12/h5-8H,2,4H2,1,3H3,(H2,15,16)
InChIKeyOZGLFNQUVNFXMI-UHFFFAOYSA-N
XLogP2.83
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(1-ethoxyethenyl)-8-methoxyisoquinolin-3-amine?
The IUPAC name of 5-(1-ethoxyethenyl)-8-methoxyisoquinolin-3-amine (CID 165381018) is 5-(1-ethoxyethenyl)-8-methoxyisoquinolin-3-amine.
What is the SMILES notation for 5-(1-ethoxyethenyl)-8-methoxyisoquinolin-3-amine?
The canonical SMILES for 5-(1-ethoxyethenyl)-8-methoxyisoquinolin-3-amine is C=C(OCC)c1ccc(OC)c2cnc(N)cc12.
What is the InChIKey of 5-(1-ethoxyethenyl)-8-methoxyisoquinolin-3-amine?
The InChIKey is OZGLFNQUVNFXMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-4-18-9(2)10-5-6-13(17-3)12-8-16-14(15)7-11(10)12/h5-8H,2,4H2,1,3H3,(H2,15,16).
What are the key properties of 5-(1-ethoxyethenyl)-8-methoxyisoquinolin-3-amine?
5-(1-ethoxyethenyl)-8-methoxyisoquinolin-3-amine has a molecular weight of 244.29 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-ethoxyethenyl)-8-methoxyisoquinolin-3-amine is sourced from PubChem (CID 165381018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).