5-(6,7-dimethoxyisoquinolin-1-yl)-N-propan-2-ylpyridin-2-amine

C19H21N3O2 — CID 24852232

IUPAC5-(6,7-dimethoxyisoquinolin-1-yl)-N-propan-2-ylpyridin-2-amine
SMILESCOc1cc2ccnc(-c3ccc(NC(C)C)nc3)c2cc1OC
InChIInChI=1S/C19H21N3O2/c1-12(2)22-18-6-5-14(11-21-18)19-15-10-17(24-4)16(23-3)9-13(15)7-8-20-19/h5-12H,1-4H3,(H,21,22)
InChIKeyDCKFIZZDIOVIJD-UHFFFAOYSA-N
MW323.40 g/mol
LogP4.13
Rot. Bonds5

About 5-(6,7-dimethoxyisoquinolin-1-yl)-N-propan-2-ylpyridin-2-amine

5-(6,7-dimethoxyisoquinolin-1-yl)-N-propan-2-ylpyridin-2-amine (PubChem CID 24852232) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is 5-(6,7-dimethoxyisoquinolin-1-yl)-N-propan-2-ylpyridin-2-amine.

Molecular Properties

Compound Name5-(6,7-dimethoxyisoquinolin-1-yl)-N-propan-2-ylpyridin-2-amine
PubChem CID24852232
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name5-(6,7-dimethoxyisoquinolin-1-yl)-N-propan-2-ylpyridin-2-amine
SMILESCOc1cc2ccnc(-c3ccc(NC(C)C)nc3)c2cc1OC
InChIInChI=1S/C19H21N3O2/c1-12(2)22-18-6-5-14(11-21-18)19-15-10-17(24-4)16(23-3)9-13(15)7-8-20-19/h5-12H,1-4H3,(H,21,22)
InChIKeyDCKFIZZDIOVIJD-UHFFFAOYSA-N
XLogP4.13
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-(6,7-dimethoxyisoquinolin-1-yl)-N-propan-2-ylpyridin-2-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 5-(6,7-dimethoxyisoquinolin-1-yl)-N-propan-2-ylpyridin-2-amine?
The IUPAC name of 5-(6,7-dimethoxyisoquinolin-1-yl)-N-propan-2-ylpyridin-2-amine (CID 24852232) is 5-(6,7-dimethoxyisoquinolin-1-yl)-N-propan-2-ylpyridin-2-amine.
What is the SMILES notation for 5-(6,7-dimethoxyisoquinolin-1-yl)-N-propan-2-ylpyridin-2-amine?
The canonical SMILES for 5-(6,7-dimethoxyisoquinolin-1-yl)-N-propan-2-ylpyridin-2-amine is COc1cc2ccnc(-c3ccc(NC(C)C)nc3)c2cc1OC.
What is the InChIKey of 5-(6,7-dimethoxyisoquinolin-1-yl)-N-propan-2-ylpyridin-2-amine?
The InChIKey is DCKFIZZDIOVIJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-12(2)22-18-6-5-14(11-21-18)19-15-10-17(24-4)16(23-3)9-13(15)7-8-20-19/h5-12H,1-4H3,(H,21,22).
What are the key properties of 5-(6,7-dimethoxyisoquinolin-1-yl)-N-propan-2-ylpyridin-2-amine?
5-(6,7-dimethoxyisoquinolin-1-yl)-N-propan-2-ylpyridin-2-amine has a molecular weight of 323.40 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6,7-dimethoxyisoquinolin-1-yl)-N-propan-2-ylpyridin-2-amine is sourced from PubChem (CID 24852232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).