11-[2-(4-oxo-3-phenylchromen-7-yl)oxyacetyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one

C28H24N2O5 — CID 162915727

About 11-[2-(4-oxo-3-phenylchromen-7-yl)oxyacetyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one

11-[2-(4-oxo-3-phenylchromen-7-yl)oxyacetyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one (PubChem CID 162915727) has the molecular formula C28H24N2O5 and a molecular weight of 468.51 g/mol. Its IUPAC name is 11-[2-(4-oxo-3-phenylchromen-7-yl)oxyacetyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one.

Molecular Properties

• Compound Name: 11-[2-(4-oxo-3-phenylchromen-7-yl)oxyacetyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
• PubChem CID: 162915727
• Molecular Formula: C28H24N2O5
• Molecular Weight: 468.51 g/mol
• Exact Mass: 468.17
• IUPAC Name: 11-[2-(4-oxo-3-phenylchromen-7-yl)oxyacetyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
• SMILES: O=C(COc1ccc2c(=O)c(-c3ccccc3)coc2c1)N1CC2CC(C1)c1cccc(=O)n1C2
• InChI: InChI=1S/C28H24N2O5/c31-26-8-4-7-24-20-11-18(14-30(24)26)13-29(15-20)27(32)17-34-21-9-10-22-25(12-21)35-16-23(28(22)33)19-5-2-1-3-6-19/h1-10,12,16,18,20H,11,13-15,17H2
• InChIKey: DAOIVUVMACGQGG-UHFFFAOYSA-N
• XLogP: 3.65
• TPSA: 81.75 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	468.51
LogP ≤ 5	3.65
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 11-[2-(4-oxo-3-phenylchromen-7-yl)oxyacetyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one?

The IUPAC name of 11-[2-(4-oxo-3-phenylchromen-7-yl)oxyacetyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one (CID 162915727) is 11-[2-(4-oxo-3-phenylchromen-7-yl)oxyacetyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one.

What is the SMILES notation for 11-[2-(4-oxo-3-phenylchromen-7-yl)oxyacetyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one?

The canonical SMILES for 11-[2-(4-oxo-3-phenylchromen-7-yl)oxyacetyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one is O=C(COc1ccc2c(=O)c(-c3ccccc3)coc2c1)N1CC2CC(C1)c1cccc(=O)n1C2.

What is the InChIKey of 11-[2-(4-oxo-3-phenylchromen-7-yl)oxyacetyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one?

The InChIKey is DAOIVUVMACGQGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N2O5/c31-26-8-4-7-24-20-11-18(14-30(24)26)13-29(15-20)27(32)17-34-21-9-10-22-25(12-21)35-16-23(28(22)33)19-5-2-1-3-6-19/h1-10,12,16,18,20H,11,13-15,17H2.

What are the key properties of 11-[2-(4-oxo-3-phenylchromen-7-yl)oxyacetyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one?

11-[2-(4-oxo-3-phenylchromen-7-yl)oxyacetyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one has a molecular weight of 468.51 g/mol, XLogP of 3.65, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 11-[2-(4-oxo-3-phenylchromen-7-yl)oxyacetyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one is sourced from PubChem (CID 162915727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).