4-[6-(diethylamino)-3-pyridinyl]-6,7-dimethoxy-1H-benzo[f][2]benzofuran-3-one

C23H24N2O4 — CID 165394194

About 4-[6-(diethylamino)-3-pyridinyl]-6,7-dimethoxy-1H-benzo[f][2]benzofuran-3-one

4-[6-(diethylamino)-3-pyridinyl]-6,7-dimethoxy-1H-benzo[f][2]benzofuran-3-one (PubChem CID 165394194) has the molecular formula C23H24N2O4 and a molecular weight of 392.46 g/mol. Its IUPAC name is 4-[6-(diethylamino)-3-pyridinyl]-6,7-dimethoxy-1H-benzo[f][2]benzofuran-3-one.

Molecular Properties

• Compound Name: 4-[6-(diethylamino)-3-pyridinyl]-6,7-dimethoxy-1H-benzo[f][2]benzofuran-3-one
• PubChem CID: 165394194
• Molecular Formula: C23H24N2O4
• Molecular Weight: 392.46 g/mol
• Exact Mass: 392.17
• IUPAC Name: 4-[6-(diethylamino)-3-pyridinyl]-6,7-dimethoxy-1H-benzo[f][2]benzofuran-3-one
• SMILES: CCN(CC)c1ccc(-c2c3c(cc4cc(OC)c(OC)cc24)COC3=O)cn1
• InChI: InChI=1S/C23H24N2O4/c1-5-25(6-2)20-8-7-14(12-24-20)21-17-11-19(28-4)18(27-3)10-15(17)9-16-13-29-23(26)22(16)21/h7-12H,5-6,13H2,1-4H3
• InChIKey: NDTJEERQUISFBH-UHFFFAOYSA-N
• XLogP: 4.44
• TPSA: 60.89 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	392.46
LogP ≤ 5	4.44
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-[6-(diethylamino)-3-pyridinyl]-6,7-dimethoxy-1H-benzo[f][2]benzofuran-3-one?

The IUPAC name of 4-[6-(diethylamino)-3-pyridinyl]-6,7-dimethoxy-1H-benzo[f][2]benzofuran-3-one (CID 165394194) is 4-[6-(diethylamino)-3-pyridinyl]-6,7-dimethoxy-1H-benzo[f][2]benzofuran-3-one.

What is the SMILES notation for 4-[6-(diethylamino)-3-pyridinyl]-6,7-dimethoxy-1H-benzo[f][2]benzofuran-3-one?

The canonical SMILES for 4-[6-(diethylamino)-3-pyridinyl]-6,7-dimethoxy-1H-benzo[f][2]benzofuran-3-one is CCN(CC)c1ccc(-c2c3c(cc4cc(OC)c(OC)cc24)COC3=O)cn1.

What is the InChIKey of 4-[6-(diethylamino)-3-pyridinyl]-6,7-dimethoxy-1H-benzo[f][2]benzofuran-3-one?

The InChIKey is NDTJEERQUISFBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O4/c1-5-25(6-2)20-8-7-14(12-24-20)21-17-11-19(28-4)18(27-3)10-15(17)9-16-13-29-23(26)22(16)21/h7-12H,5-6,13H2,1-4H3.

What are the key properties of 4-[6-(diethylamino)-3-pyridinyl]-6,7-dimethoxy-1H-benzo[f][2]benzofuran-3-one?

4-[6-(diethylamino)-3-pyridinyl]-6,7-dimethoxy-1H-benzo[f][2]benzofuran-3-one has a molecular weight of 392.46 g/mol, XLogP of 4.44, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[6-(diethylamino)-3-pyridinyl]-6,7-dimethoxy-1H-benzo[f][2]benzofuran-3-one is sourced from PubChem (CID 165394194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).