3,4-dimethoxy-N-(3-pyridin-2-ylisoquinolin-1-yl)benzamide

C23H19N3O3 — CID 10572142

IUPAC3,4-dimethoxy-N-(3-pyridin-2-ylisoquinolin-1-yl)benzamide
SMILESCOc1ccc(C(=O)Nc2nc(-c3ccccn3)cc3ccccc23)cc1OC
InChIInChI=1S/C23H19N3O3/c1-28-20-11-10-16(14-21(20)29-2)23(27)26-22-17-8-4-3-7-15(17)13-19(25-22)18-9-5-6-12-24-18/h3-14H,1-2H3,(H,25,26,27)
InChIKeyFVLACUSBWOWYAL-UHFFFAOYSA-N
MW385.42 g/mol
LogP4.57
Rot. Bonds5

About 3,4-dimethoxy-N-(3-pyridin-2-ylisoquinolin-1-yl)benzamide

3,4-dimethoxy-N-(3-pyridin-2-ylisoquinolin-1-yl)benzamide (PubChem CID 10572142) has the molecular formula C23H19N3O3 and a molecular weight of 385.42 g/mol. Its IUPAC name is 3,4-dimethoxy-N-(3-pyridin-2-ylisoquinolin-1-yl)benzamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-(3-pyridin-2-ylisoquinolin-1-yl)benzamide
PubChem CID10572142
Molecular FormulaC23H19N3O3
Molecular Weight385.42 g/mol
Exact Mass385.14
IUPAC Name3,4-dimethoxy-N-(3-pyridin-2-ylisoquinolin-1-yl)benzamide
SMILESCOc1ccc(C(=O)Nc2nc(-c3ccccn3)cc3ccccc23)cc1OC
InChIInChI=1S/C23H19N3O3/c1-28-20-11-10-16(14-21(20)29-2)23(27)26-22-17-8-4-3-7-15(17)13-19(25-22)18-9-5-6-12-24-18/h3-14H,1-2H3,(H,25,26,27)
InChIKeyFVLACUSBWOWYAL-UHFFFAOYSA-N
XLogP4.57
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3,4-dimethoxy-N-(3-pyridin-2-ylisoquinolin-1-yl)benzamide 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 3,4-dimethoxy-N-(3-pyridin-2-ylisoquinolin-1-yl)benzamide?
The IUPAC name of 3,4-dimethoxy-N-(3-pyridin-2-ylisoquinolin-1-yl)benzamide (CID 10572142) is 3,4-dimethoxy-N-(3-pyridin-2-ylisoquinolin-1-yl)benzamide.
What is the SMILES notation for 3,4-dimethoxy-N-(3-pyridin-2-ylisoquinolin-1-yl)benzamide?
The canonical SMILES for 3,4-dimethoxy-N-(3-pyridin-2-ylisoquinolin-1-yl)benzamide is COc1ccc(C(=O)Nc2nc(-c3ccccn3)cc3ccccc23)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-(3-pyridin-2-ylisoquinolin-1-yl)benzamide?
The InChIKey is FVLACUSBWOWYAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O3/c1-28-20-11-10-16(14-21(20)29-2)23(27)26-22-17-8-4-3-7-15(17)13-19(25-22)18-9-5-6-12-24-18/h3-14H,1-2H3,(H,25,26,27).
What are the key properties of 3,4-dimethoxy-N-(3-pyridin-2-ylisoquinolin-1-yl)benzamide?
3,4-dimethoxy-N-(3-pyridin-2-ylisoquinolin-1-yl)benzamide has a molecular weight of 385.42 g/mol, XLogP of 4.57, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-(3-pyridin-2-ylisoquinolin-1-yl)benzamide is sourced from PubChem (CID 10572142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).