6,7-dimethoxy-4-[6-[methyl-[(5-methylfuran-2-yl)methyl]amino]-3-pyridinyl]-1H-benzo[f][2]benzofuran-3-one

C26H24N2O5 — CID 165394332

About 6,7-dimethoxy-4-[6-[methyl-[(5-methylfuran-2-yl)methyl]amino]-3-pyridinyl]-1H-benzo[f][2]benzofuran-3-one

6,7-dimethoxy-4-[6-[methyl-[(5-methylfuran-2-yl)methyl]amino]-3-pyridinyl]-1H-benzo[f][2]benzofuran-3-one (PubChem CID 165394332) has the molecular formula C26H24N2O5 and a molecular weight of 444.49 g/mol. Its IUPAC name is 6,7-dimethoxy-4-[6-[methyl-[(5-methylfuran-2-yl)methyl]amino]-3-pyridinyl]-1H-benzo[f][2]benzofuran-3-one.

Molecular Properties

• Compound Name: 6,7-dimethoxy-4-[6-[methyl-[(5-methylfuran-2-yl)methyl]amino]-3-pyridinyl]-1H-benzo[f][2]benzofuran-3-one
• PubChem CID: 165394332
• Molecular Formula: C26H24N2O5
• Molecular Weight: 444.49 g/mol
• Exact Mass: 444.17
• IUPAC Name: 6,7-dimethoxy-4-[6-[methyl-[(5-methylfuran-2-yl)methyl]amino]-3-pyridinyl]-1H-benzo[f][2]benzofuran-3-one
• SMILES: COc1cc2cc3c(c(-c4ccc(N(C)Cc5ccc(C)o5)nc4)c2cc1OC)C(=O)OC3
• InChI: InChI=1S/C26H24N2O5/c1-15-5-7-19(33-15)13-28(2)23-8-6-16(12-27-23)24-20-11-22(31-4)21(30-3)10-17(20)9-18-14-32-26(29)25(18)24/h5-12H,13-14H2,1-4H3
• InChIKey: BZLTXCBQLSFRCJ-UHFFFAOYSA-N
• XLogP: 5.13
• TPSA: 74.03 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	444.49
LogP ≤ 5	5.13
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-4-[6-[methyl-[(5-methylfuran-2-yl)methyl]amino]-3-pyridinyl]-1H-benzo[f][2]benzofuran-3-one?

The IUPAC name of 6,7-dimethoxy-4-[6-[methyl-[(5-methylfuran-2-yl)methyl]amino]-3-pyridinyl]-1H-benzo[f][2]benzofuran-3-one (CID 165394332) is 6,7-dimethoxy-4-[6-[methyl-[(5-methylfuran-2-yl)methyl]amino]-3-pyridinyl]-1H-benzo[f][2]benzofuran-3-one.

What is the SMILES notation for 6,7-dimethoxy-4-[6-[methyl-[(5-methylfuran-2-yl)methyl]amino]-3-pyridinyl]-1H-benzo[f][2]benzofuran-3-one?

The canonical SMILES for 6,7-dimethoxy-4-[6-[methyl-[(5-methylfuran-2-yl)methyl]amino]-3-pyridinyl]-1H-benzo[f][2]benzofuran-3-one is COc1cc2cc3c(c(-c4ccc(N(C)Cc5ccc(C)o5)nc4)c2cc1OC)C(=O)OC3.

What is the InChIKey of 6,7-dimethoxy-4-[6-[methyl-[(5-methylfuran-2-yl)methyl]amino]-3-pyridinyl]-1H-benzo[f][2]benzofuran-3-one?

The InChIKey is BZLTXCBQLSFRCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O5/c1-15-5-7-19(33-15)13-28(2)23-8-6-16(12-27-23)24-20-11-22(31-4)21(30-3)10-17(20)9-18-14-32-26(29)25(18)24/h5-12H,13-14H2,1-4H3.

What are the key properties of 6,7-dimethoxy-4-[6-[methyl-[(5-methylfuran-2-yl)methyl]amino]-3-pyridinyl]-1H-benzo[f][2]benzofuran-3-one?

6,7-dimethoxy-4-[6-[methyl-[(5-methylfuran-2-yl)methyl]amino]-3-pyridinyl]-1H-benzo[f][2]benzofuran-3-one has a molecular weight of 444.49 g/mol, XLogP of 5.13, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6,7-dimethoxy-4-[6-[methyl-[(5-methylfuran-2-yl)methyl]amino]-3-pyridinyl]-1H-benzo[f][2]benzofuran-3-one is sourced from PubChem (CID 165394332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).