6-methoxy-9-methyl-10-(pyridin-3-ylmethyl)-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-11-one

C18H19N3O3 — CID 167912625

About 6-methoxy-9-methyl-10-(pyridin-3-ylmethyl)-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-11-one

6-methoxy-9-methyl-10-(pyridin-3-ylmethyl)-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-11-one (PubChem CID 167912625) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is 6-methoxy-9-methyl-10-(pyridin-3-ylmethyl)-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-11-one.

Molecular Properties

• Compound Name: 6-methoxy-9-methyl-10-(pyridin-3-ylmethyl)-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-11-one
• PubChem CID: 167912625
• Molecular Formula: C18H19N3O3
• Molecular Weight: 325.37 g/mol
• Exact Mass: 325.14
• IUPAC Name: 6-methoxy-9-methyl-10-(pyridin-3-ylmethyl)-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-11-one
• SMILES: COc1cccc2c1OC1(C)CC2NC(=O)N1Cc1cccnc1
• InChI: InChI=1S/C18H19N3O3/c1-18-9-14(13-6-3-7-15(23-2)16(13)24-18)20-17(22)21(18)11-12-5-4-8-19-10-12/h3-8,10,14H,9,11H2,1-2H3,(H,20,22)
• InChIKey: WURZELRFOJOUFJ-UHFFFAOYSA-N
• XLogP: 2.86
• TPSA: 63.69 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	325.37
LogP ≤ 5	2.86
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-9-methyl-10-(pyridin-3-ylmethyl)-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-11-one?

The IUPAC name of 6-methoxy-9-methyl-10-(pyridin-3-ylmethyl)-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-11-one (CID 167912625) is 6-methoxy-9-methyl-10-(pyridin-3-ylmethyl)-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-11-one.

What is the SMILES notation for 6-methoxy-9-methyl-10-(pyridin-3-ylmethyl)-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-11-one?

The canonical SMILES for 6-methoxy-9-methyl-10-(pyridin-3-ylmethyl)-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-11-one is COc1cccc2c1OC1(C)CC2NC(=O)N1Cc1cccnc1.

What is the InChIKey of 6-methoxy-9-methyl-10-(pyridin-3-ylmethyl)-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-11-one?

The InChIKey is WURZELRFOJOUFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3/c1-18-9-14(13-6-3-7-15(23-2)16(13)24-18)20-17(22)21(18)11-12-5-4-8-19-10-12/h3-8,10,14H,9,11H2,1-2H3,(H,20,22).

What are the key properties of 6-methoxy-9-methyl-10-(pyridin-3-ylmethyl)-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-11-one?

6-methoxy-9-methyl-10-(pyridin-3-ylmethyl)-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-11-one has a molecular weight of 325.37 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 6-methoxy-9-methyl-10-(pyridin-3-ylmethyl)-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-11-one is sourced from PubChem (CID 167912625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).