N-(3,5-dichloro-2-pyridinyl)-2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide

C18H20Cl2N3O3+ — CID 8786566

About N-(3,5-dichloro-2-pyridinyl)-2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide

N-(3,5-dichloro-2-pyridinyl)-2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide (PubChem CID 8786566) has the molecular formula C18H20Cl2N3O3+ and a molecular weight of 397.28 g/mol. Its IUPAC name is N-(3,5-dichloro-2-pyridinyl)-2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide.

Molecular Properties

• Compound Name: N-(3,5-dichloro-2-pyridinyl)-2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide
• PubChem CID: 8786566
• Molecular Formula: C18H20Cl2N3O3+
• Molecular Weight: 397.28 g/mol
• Exact Mass: 396.09
• IUPAC Name: N-(3,5-dichloro-2-pyridinyl)-2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide
• SMILES: COc1cc2c(cc1OC)C[NH+](CC(=O)Nc1ncc(Cl)cc1Cl)CC2
• InChI: InChI=1S/C18H19Cl2N3O3/c1-25-15-5-11-3-4-23(9-12(11)6-16(15)26-2)10-17(24)22-18-14(20)7-13(19)8-21-18/h5-8H,3-4,9-10H2,1-2H3,(H,21,22,24)/p+1
• InChIKey: WEQLKFWGSJYIQY-UHFFFAOYSA-O
• XLogP: 1.99
• TPSA: 64.89 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	397.28
LogP ≤ 5	1.99
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichloro-2-pyridinyl)-2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide?

The IUPAC name of N-(3,5-dichloro-2-pyridinyl)-2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide (CID 8786566) is N-(3,5-dichloro-2-pyridinyl)-2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide.

What is the SMILES notation for N-(3,5-dichloro-2-pyridinyl)-2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide?

The canonical SMILES for N-(3,5-dichloro-2-pyridinyl)-2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide is COc1cc2c(cc1OC)C[NH+](CC(=O)Nc1ncc(Cl)cc1Cl)CC2.

What is the InChIKey of N-(3,5-dichloro-2-pyridinyl)-2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide?

The InChIKey is WEQLKFWGSJYIQY-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H19Cl2N3O3/c1-25-15-5-11-3-4-23(9-12(11)6-16(15)26-2)10-17(24)22-18-14(20)7-13(19)8-21-18/h5-8H,3-4,9-10H2,1-2H3,(H,21,22,24)/p+1.

What are the key properties of N-(3,5-dichloro-2-pyridinyl)-2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide?

N-(3,5-dichloro-2-pyridinyl)-2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide has a molecular weight of 397.28 g/mol, XLogP of 1.99, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3,5-dichloro-2-pyridinyl)-2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide is sourced from PubChem (CID 8786566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).