2,3-dihydro-1,4-benzodioxin-6-yl-[(2R)-2-[6-methyl-4-(pyridin-2-ylamino)-2-pyridinyl]morpholin-4-yl]methanone

C24H24N4O4 — CID 124952717

About 2,3-dihydro-1,4-benzodioxin-6-yl-[(2R)-2-[6-methyl-4-(pyridin-2-ylamino)-2-pyridinyl]morpholin-4-yl]methanone

2,3-dihydro-1,4-benzodioxin-6-yl-[(2R)-2-[6-methyl-4-(pyridin-2-ylamino)-2-pyridinyl]morpholin-4-yl]methanone (PubChem CID 124952717) has the molecular formula C24H24N4O4 and a molecular weight of 432.48 g/mol. Its IUPAC name is 2,3-dihydro-1,4-benzodioxin-6-yl-[(2R)-2-[6-methyl-4-(pyridin-2-ylamino)-2-pyridinyl]morpholin-4-yl]methanone.

Molecular Properties

• Compound Name: 2,3-dihydro-1,4-benzodioxin-6-yl-[(2R)-2-[6-methyl-4-(pyridin-2-ylamino)-2-pyridinyl]morpholin-4-yl]methanone
• PubChem CID: 124952717
• Molecular Formula: C24H24N4O4
• Molecular Weight: 432.48 g/mol
• Exact Mass: 432.18
• IUPAC Name: 2,3-dihydro-1,4-benzodioxin-6-yl-[(2R)-2-[6-methyl-4-(pyridin-2-ylamino)-2-pyridinyl]morpholin-4-yl]methanone
• SMILES: Cc1cc(Nc2ccccn2)cc([C@H]2CN(C(=O)c3ccc4c(c3)OCCO4)CCO2)n1
• InChI: InChI=1S/C24H24N4O4/c1-16-12-18(27-23-4-2-3-7-25-23)14-19(26-16)22-15-28(8-9-30-22)24(29)17-5-6-20-21(13-17)32-11-10-31-20/h2-7,12-14,22H,8-11,15H2,1H3,(H,25,26,27)/t22-/m1/s1
• InChIKey: DQMFYVUXMWSQQW-JOCHJYFZSA-N
• XLogP: 3.51
• TPSA: 85.81 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	432.48
LogP ≤ 5	3.51
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-6-yl-[(2R)-2-[6-methyl-4-(pyridin-2-ylamino)-2-pyridinyl]morpholin-4-yl]methanone?

The IUPAC name of 2,3-dihydro-1,4-benzodioxin-6-yl-[(2R)-2-[6-methyl-4-(pyridin-2-ylamino)-2-pyridinyl]morpholin-4-yl]methanone (CID 124952717) is 2,3-dihydro-1,4-benzodioxin-6-yl-[(2R)-2-[6-methyl-4-(pyridin-2-ylamino)-2-pyridinyl]morpholin-4-yl]methanone.

What is the SMILES notation for 2,3-dihydro-1,4-benzodioxin-6-yl-[(2R)-2-[6-methyl-4-(pyridin-2-ylamino)-2-pyridinyl]morpholin-4-yl]methanone?

The canonical SMILES for 2,3-dihydro-1,4-benzodioxin-6-yl-[(2R)-2-[6-methyl-4-(pyridin-2-ylamino)-2-pyridinyl]morpholin-4-yl]methanone is Cc1cc(Nc2ccccn2)cc([C@H]2CN(C(=O)c3ccc4c(c3)OCCO4)CCO2)n1.

What is the InChIKey of 2,3-dihydro-1,4-benzodioxin-6-yl-[(2R)-2-[6-methyl-4-(pyridin-2-ylamino)-2-pyridinyl]morpholin-4-yl]methanone?

The InChIKey is DQMFYVUXMWSQQW-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H24N4O4/c1-16-12-18(27-23-4-2-3-7-25-23)14-19(26-16)22-15-28(8-9-30-22)24(29)17-5-6-20-21(13-17)32-11-10-31-20/h2-7,12-14,22H,8-11,15H2,1H3,(H,25,26,27)/t22-/m1/s1.

What are the key properties of 2,3-dihydro-1,4-benzodioxin-6-yl-[(2R)-2-[6-methyl-4-(pyridin-2-ylamino)-2-pyridinyl]morpholin-4-yl]methanone?

2,3-dihydro-1,4-benzodioxin-6-yl-[(2R)-2-[6-methyl-4-(pyridin-2-ylamino)-2-pyridinyl]morpholin-4-yl]methanone has a molecular weight of 432.48 g/mol, XLogP of 3.51, 4 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-6-yl-[(2R)-2-[6-methyl-4-(pyridin-2-ylamino)-2-pyridinyl]morpholin-4-yl]methanone is sourced from PubChem (CID 124952717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).