7-pyridin-4-yloxyisoquinolin-1-amine

C14H11N3O — CID 44530197

IUPAC7-pyridin-4-yloxyisoquinolin-1-amine
SMILESNc1nccc2ccc(Oc3ccncc3)cc12
InChIInChI=1S/C14H11N3O/c15-14-13-9-12(2-1-10(13)3-8-17-14)18-11-4-6-16-7-5-11/h1-9H,(H2,15,17)
InChIKeyRTGLWPYSDSYODR-UHFFFAOYSA-N
MW237.26 g/mol
LogP3.00
Rot. Bonds2

About 7-pyridin-4-yloxyisoquinolin-1-amine

7-pyridin-4-yloxyisoquinolin-1-amine (PubChem CID 44530197) has the molecular formula C14H11N3O and a molecular weight of 237.26 g/mol. Its IUPAC name is 7-pyridin-4-yloxyisoquinolin-1-amine.

Molecular Properties

Compound Name7-pyridin-4-yloxyisoquinolin-1-amine
PubChem CID44530197
Molecular FormulaC14H11N3O
Molecular Weight237.26 g/mol
Exact Mass237.09
IUPAC Name7-pyridin-4-yloxyisoquinolin-1-amine
SMILESNc1nccc2ccc(Oc3ccncc3)cc12
InChIInChI=1S/C14H11N3O/c15-14-13-9-12(2-1-10(13)3-8-17-14)18-11-4-6-16-7-5-11/h1-9H,(H2,15,17)
InChIKeyRTGLWPYSDSYODR-UHFFFAOYSA-N
XLogP3.00
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 7-pyridin-4-yloxyisoquinolin-1-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 7-pyridin-4-yloxyisoquinolin-1-amine?
The IUPAC name of 7-pyridin-4-yloxyisoquinolin-1-amine (CID 44530197) is 7-pyridin-4-yloxyisoquinolin-1-amine.
What is the SMILES notation for 7-pyridin-4-yloxyisoquinolin-1-amine?
The canonical SMILES for 7-pyridin-4-yloxyisoquinolin-1-amine is Nc1nccc2ccc(Oc3ccncc3)cc12.
What is the InChIKey of 7-pyridin-4-yloxyisoquinolin-1-amine?
The InChIKey is RTGLWPYSDSYODR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O/c15-14-13-9-12(2-1-10(13)3-8-17-14)18-11-4-6-16-7-5-11/h1-9H,(H2,15,17).
What are the key properties of 7-pyridin-4-yloxyisoquinolin-1-amine?
7-pyridin-4-yloxyisoquinolin-1-amine has a molecular weight of 237.26 g/mol, XLogP of 3.00, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-pyridin-4-yloxyisoquinolin-1-amine is sourced from PubChem (CID 44530197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).