6-tert-butyl-11-(oxetan-3-yloxy)-2-oxo-6,7-dihydro-[1]benzofuro[2,3-a]quinolizine-3-carboxylic acid

C23H23NO6 — CID 146470651

About 6-tert-butyl-11-(oxetan-3-yloxy)-2-oxo-6,7-dihydro-[1]benzofuro[2,3-a]quinolizine-3-carboxylic acid

6-tert-butyl-11-(oxetan-3-yloxy)-2-oxo-6,7-dihydro-[1]benzofuro[2,3-a]quinolizine-3-carboxylic acid (PubChem CID 146470651) has the molecular formula C23H23NO6 and a molecular weight of 409.44 g/mol. Its IUPAC name is 6-tert-butyl-11-(oxetan-3-yloxy)-2-oxo-6,7-dihydro-[1]benzofuro[2,3-a]quinolizine-3-carboxylic acid.

Molecular Properties

• Compound Name: 6-tert-butyl-11-(oxetan-3-yloxy)-2-oxo-6,7-dihydro-[1]benzofuro[2,3-a]quinolizine-3-carboxylic acid
• PubChem CID: 146470651
• Molecular Formula: C23H23NO6
• Molecular Weight: 409.44 g/mol
• Exact Mass: 409.15
• IUPAC Name: 6-tert-butyl-11-(oxetan-3-yloxy)-2-oxo-6,7-dihydro-[1]benzofuro[2,3-a]quinolizine-3-carboxylic acid
• SMILES: CC(C)(C)C1Cc2c(oc3c(OC4COC4)cccc23)-c2cc(=O)c(C(=O)O)cn21
• InChI: InChI=1S/C23H23NO6/c1-23(2,3)19-7-14-13-5-4-6-18(29-12-10-28-11-12)21(13)30-20(14)16-8-17(25)15(22(26)27)9-24(16)19/h4-6,8-9,12,19H,7,10-11H2,1-3H3,(H,26,27)
• InChIKey: LPWJNMPHFKHVTP-UHFFFAOYSA-N
• XLogP: 3.88
• TPSA: 90.90 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	409.44
LogP ≤ 5	3.88
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-11-(oxetan-3-yloxy)-2-oxo-6,7-dihydro-[1]benzofuro[2,3-a]quinolizine-3-carboxylic acid?

The IUPAC name of 6-tert-butyl-11-(oxetan-3-yloxy)-2-oxo-6,7-dihydro-[1]benzofuro[2,3-a]quinolizine-3-carboxylic acid (CID 146470651) is 6-tert-butyl-11-(oxetan-3-yloxy)-2-oxo-6,7-dihydro-[1]benzofuro[2,3-a]quinolizine-3-carboxylic acid.

What is the SMILES notation for 6-tert-butyl-11-(oxetan-3-yloxy)-2-oxo-6,7-dihydro-[1]benzofuro[2,3-a]quinolizine-3-carboxylic acid?

The canonical SMILES for 6-tert-butyl-11-(oxetan-3-yloxy)-2-oxo-6,7-dihydro-[1]benzofuro[2,3-a]quinolizine-3-carboxylic acid is CC(C)(C)C1Cc2c(oc3c(OC4COC4)cccc23)-c2cc(=O)c(C(=O)O)cn21.

What is the InChIKey of 6-tert-butyl-11-(oxetan-3-yloxy)-2-oxo-6,7-dihydro-[1]benzofuro[2,3-a]quinolizine-3-carboxylic acid?

The InChIKey is LPWJNMPHFKHVTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO6/c1-23(2,3)19-7-14-13-5-4-6-18(29-12-10-28-11-12)21(13)30-20(14)16-8-17(25)15(22(26)27)9-24(16)19/h4-6,8-9,12,19H,7,10-11H2,1-3H3,(H,26,27).

What are the key properties of 6-tert-butyl-11-(oxetan-3-yloxy)-2-oxo-6,7-dihydro-[1]benzofuro[2,3-a]quinolizine-3-carboxylic acid?

6-tert-butyl-11-(oxetan-3-yloxy)-2-oxo-6,7-dihydro-[1]benzofuro[2,3-a]quinolizine-3-carboxylic acid has a molecular weight of 409.44 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-tert-butyl-11-(oxetan-3-yloxy)-2-oxo-6,7-dihydro-[1]benzofuro[2,3-a]quinolizine-3-carboxylic acid is sourced from PubChem (CID 146470651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).