2,3-dihydro-1,4-benzodioxin-5-yl-[(2R)-2-[3-(methylamino)pyrazin-2-yl]morpholin-4-yl]methanone

C18H20N4O4 — CID 124948136

About 2,3-dihydro-1,4-benzodioxin-5-yl-[(2R)-2-[3-(methylamino)pyrazin-2-yl]morpholin-4-yl]methanone

2,3-dihydro-1,4-benzodioxin-5-yl-[(2R)-2-[3-(methylamino)pyrazin-2-yl]morpholin-4-yl]methanone (PubChem CID 124948136) has the molecular formula C18H20N4O4 and a molecular weight of 356.38 g/mol. Its IUPAC name is 2,3-dihydro-1,4-benzodioxin-5-yl-[(2R)-2-[3-(methylamino)pyrazin-2-yl]morpholin-4-yl]methanone.

Molecular Properties

• Compound Name: 2,3-dihydro-1,4-benzodioxin-5-yl-[(2R)-2-[3-(methylamino)pyrazin-2-yl]morpholin-4-yl]methanone
• PubChem CID: 124948136
• Molecular Formula: C18H20N4O4
• Molecular Weight: 356.38 g/mol
• Exact Mass: 356.15
• IUPAC Name: 2,3-dihydro-1,4-benzodioxin-5-yl-[(2R)-2-[3-(methylamino)pyrazin-2-yl]morpholin-4-yl]methanone
• SMILES: CNc1nccnc1[C@H]1CN(C(=O)c2cccc3c2OCCO3)CCO1
• InChI: InChI=1S/C18H20N4O4/c1-19-17-15(20-5-6-21-17)14-11-22(7-8-24-14)18(23)12-3-2-4-13-16(12)26-10-9-25-13/h2-6,14H,7-11H2,1H3,(H,19,21)/t14-/m1/s1
• InChIKey: CKVGNUUOEIEXLI-CQSZACIVSA-N
• XLogP: 1.50
• TPSA: 85.81 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	356.38
LogP ≤ 5	1.50
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1,4-benzodioxin-5-yl-[(2R)-2-[3-(methylamino)pyrazin-2-yl]morpholin-4-yl]methanone?

The IUPAC name of 2,3-dihydro-1,4-benzodioxin-5-yl-[(2R)-2-[3-(methylamino)pyrazin-2-yl]morpholin-4-yl]methanone (CID 124948136) is 2,3-dihydro-1,4-benzodioxin-5-yl-[(2R)-2-[3-(methylamino)pyrazin-2-yl]morpholin-4-yl]methanone.

What is the SMILES notation for 2,3-dihydro-1,4-benzodioxin-5-yl-[(2R)-2-[3-(methylamino)pyrazin-2-yl]morpholin-4-yl]methanone?

The canonical SMILES for 2,3-dihydro-1,4-benzodioxin-5-yl-[(2R)-2-[3-(methylamino)pyrazin-2-yl]morpholin-4-yl]methanone is CNc1nccnc1[C@H]1CN(C(=O)c2cccc3c2OCCO3)CCO1.

What is the InChIKey of 2,3-dihydro-1,4-benzodioxin-5-yl-[(2R)-2-[3-(methylamino)pyrazin-2-yl]morpholin-4-yl]methanone?

The InChIKey is CKVGNUUOEIEXLI-CQSZACIVSA-N. The full InChI is InChI=1S/C18H20N4O4/c1-19-17-15(20-5-6-21-17)14-11-22(7-8-24-14)18(23)12-3-2-4-13-16(12)26-10-9-25-13/h2-6,14H,7-11H2,1H3,(H,19,21)/t14-/m1/s1.

What are the key properties of 2,3-dihydro-1,4-benzodioxin-5-yl-[(2R)-2-[3-(methylamino)pyrazin-2-yl]morpholin-4-yl]methanone?

2,3-dihydro-1,4-benzodioxin-5-yl-[(2R)-2-[3-(methylamino)pyrazin-2-yl]morpholin-4-yl]methanone has a molecular weight of 356.38 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2,3-dihydro-1,4-benzodioxin-5-yl-[(2R)-2-[3-(methylamino)pyrazin-2-yl]morpholin-4-yl]methanone is sourced from PubChem (CID 124948136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).