(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(2-methyl-2,3-dihydro-1,4-benzodioxin-3-yl)methanone

C21H23NO5 — CID 46449144

About (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(2-methyl-2,3-dihydro-1,4-benzodioxin-3-yl)methanone

(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(2-methyl-2,3-dihydro-1,4-benzodioxin-3-yl)methanone (PubChem CID 46449144) has the molecular formula C21H23NO5 and a molecular weight of 369.42 g/mol. Its IUPAC name is (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(2-methyl-2,3-dihydro-1,4-benzodioxin-3-yl)methanone.

Molecular Properties

• Compound Name: (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(2-methyl-2,3-dihydro-1,4-benzodioxin-3-yl)methanone
• PubChem CID: 46449144
• Molecular Formula: C21H23NO5
• Molecular Weight: 369.42 g/mol
• Exact Mass: 369.16
• IUPAC Name: (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(2-methyl-2,3-dihydro-1,4-benzodioxin-3-yl)methanone
• SMILES: COc1cc2c(cc1OC)CN(C(=O)C1Oc3ccccc3OC1C)CC2
• InChI: InChI=1S/C21H23NO5/c1-13-20(27-17-7-5-4-6-16(17)26-13)21(23)22-9-8-14-10-18(24-2)19(25-3)11-15(14)12-22/h4-7,10-11,13,20H,8-9,12H2,1-3H3
• InChIKey: PRWBAYIQBLORAP-UHFFFAOYSA-N
• XLogP: 2.82
• TPSA: 57.23 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	369.42
LogP ≤ 5	2.82
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(2-methyl-2,3-dihydro-1,4-benzodioxin-3-yl)methanone?

The IUPAC name of (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(2-methyl-2,3-dihydro-1,4-benzodioxin-3-yl)methanone (CID 46449144) is (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(2-methyl-2,3-dihydro-1,4-benzodioxin-3-yl)methanone.

What is the SMILES notation for (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(2-methyl-2,3-dihydro-1,4-benzodioxin-3-yl)methanone?

The canonical SMILES for (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(2-methyl-2,3-dihydro-1,4-benzodioxin-3-yl)methanone is COc1cc2c(cc1OC)CN(C(=O)C1Oc3ccccc3OC1C)CC2.

What is the InChIKey of (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(2-methyl-2,3-dihydro-1,4-benzodioxin-3-yl)methanone?

The InChIKey is PRWBAYIQBLORAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO5/c1-13-20(27-17-7-5-4-6-16(17)26-13)21(23)22-9-8-14-10-18(24-2)19(25-3)11-15(14)12-22/h4-7,10-11,13,20H,8-9,12H2,1-3H3.

What are the key properties of (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(2-methyl-2,3-dihydro-1,4-benzodioxin-3-yl)methanone?

(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(2-methyl-2,3-dihydro-1,4-benzodioxin-3-yl)methanone has a molecular weight of 369.42 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(2-methyl-2,3-dihydro-1,4-benzodioxin-3-yl)methanone is sourced from PubChem (CID 46449144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).