2-[(6,7-dimethoxyisoquinolin-4-yl)methyl]quinolin-8-amine

C21H19N3O2 — CID 90117855

IUPAC2-[(6,7-dimethoxyisoquinolin-4-yl)methyl]quinolin-8-amine
SMILESCOc1cc2cncc(Cc3ccc4cccc(N)c4n3)c2cc1OC
InChIInChI=1S/C21H19N3O2/c1-25-19-9-15-12-23-11-14(17(15)10-20(19)26-2)8-16-7-6-13-4-3-5-18(22)21(13)24-16/h3-7,9-12H,8,22H2,1-2H3
InChIKeyIMGHCWNIUHZSGH-UHFFFAOYSA-N
MW345.40 g/mol
LogP3.97
Rot. Bonds4

About 2-[(6,7-dimethoxyisoquinolin-4-yl)methyl]quinolin-8-amine

2-[(6,7-dimethoxyisoquinolin-4-yl)methyl]quinolin-8-amine (PubChem CID 90117855) has the molecular formula C21H19N3O2 and a molecular weight of 345.40 g/mol. Its IUPAC name is 2-[(6,7-dimethoxyisoquinolin-4-yl)methyl]quinolin-8-amine.

Molecular Properties

Compound Name2-[(6,7-dimethoxyisoquinolin-4-yl)methyl]quinolin-8-amine
PubChem CID90117855
Molecular FormulaC21H19N3O2
Molecular Weight345.40 g/mol
Exact Mass345.15
IUPAC Name2-[(6,7-dimethoxyisoquinolin-4-yl)methyl]quinolin-8-amine
SMILESCOc1cc2cncc(Cc3ccc4cccc(N)c4n3)c2cc1OC
InChIInChI=1S/C21H19N3O2/c1-25-19-9-15-12-23-11-14(17(15)10-20(19)26-2)8-16-7-6-13-4-3-5-18(22)21(13)24-16/h3-7,9-12H,8,22H2,1-2H3
InChIKeyIMGHCWNIUHZSGH-UHFFFAOYSA-N
XLogP3.97
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-[(6,7-dimethoxyisoquinolin-4-yl)methyl]quinolin-8-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 2-[(6,7-dimethoxyisoquinolin-4-yl)methyl]quinolin-8-amine?
The IUPAC name of 2-[(6,7-dimethoxyisoquinolin-4-yl)methyl]quinolin-8-amine (CID 90117855) is 2-[(6,7-dimethoxyisoquinolin-4-yl)methyl]quinolin-8-amine.
What is the SMILES notation for 2-[(6,7-dimethoxyisoquinolin-4-yl)methyl]quinolin-8-amine?
The canonical SMILES for 2-[(6,7-dimethoxyisoquinolin-4-yl)methyl]quinolin-8-amine is COc1cc2cncc(Cc3ccc4cccc(N)c4n3)c2cc1OC.
What is the InChIKey of 2-[(6,7-dimethoxyisoquinolin-4-yl)methyl]quinolin-8-amine?
The InChIKey is IMGHCWNIUHZSGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O2/c1-25-19-9-15-12-23-11-14(17(15)10-20(19)26-2)8-16-7-6-13-4-3-5-18(22)21(13)24-16/h3-7,9-12H,8,22H2,1-2H3.
What are the key properties of 2-[(6,7-dimethoxyisoquinolin-4-yl)methyl]quinolin-8-amine?
2-[(6,7-dimethoxyisoquinolin-4-yl)methyl]quinolin-8-amine has a molecular weight of 345.40 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6,7-dimethoxyisoquinolin-4-yl)methyl]quinolin-8-amine is sourced from PubChem (CID 90117855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).