4-(1,4-dioxan-2-ylmethoxy)-9-ethoxy-1-methyl-6,7-dihydrobenzo[a]quinolizin-2-one

C21H25NO5 — CID 145172990

About 4-(1,4-dioxan-2-ylmethoxy)-9-ethoxy-1-methyl-6,7-dihydrobenzo[a]quinolizin-2-one

4-(1,4-dioxan-2-ylmethoxy)-9-ethoxy-1-methyl-6,7-dihydrobenzo[a]quinolizin-2-one (PubChem CID 145172990) has the molecular formula C21H25NO5 and a molecular weight of 371.43 g/mol. Its IUPAC name is 4-(1,4-dioxan-2-ylmethoxy)-9-ethoxy-1-methyl-6,7-dihydrobenzo[a]quinolizin-2-one.

Molecular Properties

• Compound Name: 4-(1,4-dioxan-2-ylmethoxy)-9-ethoxy-1-methyl-6,7-dihydrobenzo[a]quinolizin-2-one
• PubChem CID: 145172990
• Molecular Formula: C21H25NO5
• Molecular Weight: 371.43 g/mol
• Exact Mass: 371.17
• IUPAC Name: 4-(1,4-dioxan-2-ylmethoxy)-9-ethoxy-1-methyl-6,7-dihydrobenzo[a]quinolizin-2-one
• SMILES: CCOc1ccc2c(c1)CCn1c(OCC3COCCO3)cc(=O)c(C)c1-2
• InChI: InChI=1S/C21H25NO5/c1-3-25-16-4-5-18-15(10-16)6-7-22-20(11-19(23)14(2)21(18)22)27-13-17-12-24-8-9-26-17/h4-5,10-11,17H,3,6-9,12-13H2,1-2H3
• InChIKey: ZMQCSBDQCXQZEW-UHFFFAOYSA-N
• XLogP: 2.57
• TPSA: 58.92 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	371.43
LogP ≤ 5	2.57
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-(1,4-dioxan-2-ylmethoxy)-9-ethoxy-1-methyl-6,7-dihydrobenzo[a]quinolizin-2-one?

The IUPAC name of 4-(1,4-dioxan-2-ylmethoxy)-9-ethoxy-1-methyl-6,7-dihydrobenzo[a]quinolizin-2-one (CID 145172990) is 4-(1,4-dioxan-2-ylmethoxy)-9-ethoxy-1-methyl-6,7-dihydrobenzo[a]quinolizin-2-one.

What is the SMILES notation for 4-(1,4-dioxan-2-ylmethoxy)-9-ethoxy-1-methyl-6,7-dihydrobenzo[a]quinolizin-2-one?

The canonical SMILES for 4-(1,4-dioxan-2-ylmethoxy)-9-ethoxy-1-methyl-6,7-dihydrobenzo[a]quinolizin-2-one is CCOc1ccc2c(c1)CCn1c(OCC3COCCO3)cc(=O)c(C)c1-2.

What is the InChIKey of 4-(1,4-dioxan-2-ylmethoxy)-9-ethoxy-1-methyl-6,7-dihydrobenzo[a]quinolizin-2-one?

The InChIKey is ZMQCSBDQCXQZEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO5/c1-3-25-16-4-5-18-15(10-16)6-7-22-20(11-19(23)14(2)21(18)22)27-13-17-12-24-8-9-26-17/h4-5,10-11,17H,3,6-9,12-13H2,1-2H3.

What are the key properties of 4-(1,4-dioxan-2-ylmethoxy)-9-ethoxy-1-methyl-6,7-dihydrobenzo[a]quinolizin-2-one?

4-(1,4-dioxan-2-ylmethoxy)-9-ethoxy-1-methyl-6,7-dihydrobenzo[a]quinolizin-2-one has a molecular weight of 371.43 g/mol, XLogP of 2.57, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(1,4-dioxan-2-ylmethoxy)-9-ethoxy-1-methyl-6,7-dihydrobenzo[a]quinolizin-2-one is sourced from PubChem (CID 145172990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).