[12-ethyl-8-(hydroxymethyl)-7-(1-hydroxypropyl)-9-oxo-11H-indolizino[1,2-b]quinolin-2-yl] 4-piperidin-1-ylpiperidine-1-carboxylate

C32H40N4O5 — CID 169439972

About [12-ethyl-8-(hydroxymethyl)-7-(1-hydroxypropyl)-9-oxo-11H-indolizino[1,2-b]quinolin-2-yl] 4-piperidin-1-ylpiperidine-1-carboxylate

[12-ethyl-8-(hydroxymethyl)-7-(1-hydroxypropyl)-9-oxo-11H-indolizino[1,2-b]quinolin-2-yl] 4-piperidin-1-ylpiperidine-1-carboxylate (PubChem CID 169439972) has the molecular formula C32H40N4O5 and a molecular weight of 560.70 g/mol. Its IUPAC name is [12-ethyl-8-(hydroxymethyl)-7-(1-hydroxypropyl)-9-oxo-11H-indolizino[1,2-b]quinolin-2-yl] 4-piperidin-1-ylpiperidine-1-carboxylate.

Molecular Properties

• Compound Name: [12-ethyl-8-(hydroxymethyl)-7-(1-hydroxypropyl)-9-oxo-11H-indolizino[1,2-b]quinolin-2-yl] 4-piperidin-1-ylpiperidine-1-carboxylate
• PubChem CID: 169439972
• Molecular Formula: C32H40N4O5
• Molecular Weight: 560.70 g/mol
• Exact Mass: 560.30
• IUPAC Name: [12-ethyl-8-(hydroxymethyl)-7-(1-hydroxypropyl)-9-oxo-11H-indolizino[1,2-b]quinolin-2-yl] 4-piperidin-1-ylpiperidine-1-carboxylate
• SMILES: CCc1c2c(nc3ccc(OC(=O)N4CCC(N5CCCCC5)CC4)cc13)-c1cc(C(O)CC)c(CO)c(=O)n1C2
• InChI: InChI=1S/C32H40N4O5/c1-3-22-23-16-21(41-32(40)35-14-10-20(11-15-35)34-12-6-5-7-13-34)8-9-27(23)33-30-25(22)18-36-28(30)17-24(29(38)4-2)26(19-37)31(36)39/h8-9,16-17,20,29,37-38H,3-7,10-15,18-19H2,1-2H3
• InChIKey: PSTVGQNKGYKRJQ-UHFFFAOYSA-N
• XLogP: 4.37
• TPSA: 108.13 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	560.70
LogP ≤ 5	4.37
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of [12-ethyl-8-(hydroxymethyl)-7-(1-hydroxypropyl)-9-oxo-11H-indolizino[1,2-b]quinolin-2-yl] 4-piperidin-1-ylpiperidine-1-carboxylate?

The IUPAC name of [12-ethyl-8-(hydroxymethyl)-7-(1-hydroxypropyl)-9-oxo-11H-indolizino[1,2-b]quinolin-2-yl] 4-piperidin-1-ylpiperidine-1-carboxylate (CID 169439972) is [12-ethyl-8-(hydroxymethyl)-7-(1-hydroxypropyl)-9-oxo-11H-indolizino[1,2-b]quinolin-2-yl] 4-piperidin-1-ylpiperidine-1-carboxylate.

What is the SMILES notation for [12-ethyl-8-(hydroxymethyl)-7-(1-hydroxypropyl)-9-oxo-11H-indolizino[1,2-b]quinolin-2-yl] 4-piperidin-1-ylpiperidine-1-carboxylate?

The canonical SMILES for [12-ethyl-8-(hydroxymethyl)-7-(1-hydroxypropyl)-9-oxo-11H-indolizino[1,2-b]quinolin-2-yl] 4-piperidin-1-ylpiperidine-1-carboxylate is CCc1c2c(nc3ccc(OC(=O)N4CCC(N5CCCCC5)CC4)cc13)-c1cc(C(O)CC)c(CO)c(=O)n1C2.

What is the InChIKey of [12-ethyl-8-(hydroxymethyl)-7-(1-hydroxypropyl)-9-oxo-11H-indolizino[1,2-b]quinolin-2-yl] 4-piperidin-1-ylpiperidine-1-carboxylate?

The InChIKey is PSTVGQNKGYKRJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H40N4O5/c1-3-22-23-16-21(41-32(40)35-14-10-20(11-15-35)34-12-6-5-7-13-34)8-9-27(23)33-30-25(22)18-36-28(30)17-24(29(38)4-2)26(19-37)31(36)39/h8-9,16-17,20,29,37-38H,3-7,10-15,18-19H2,1-2H3.

What are the key properties of [12-ethyl-8-(hydroxymethyl)-7-(1-hydroxypropyl)-9-oxo-11H-indolizino[1,2-b]quinolin-2-yl] 4-piperidin-1-ylpiperidine-1-carboxylate?

[12-ethyl-8-(hydroxymethyl)-7-(1-hydroxypropyl)-9-oxo-11H-indolizino[1,2-b]quinolin-2-yl] 4-piperidin-1-ylpiperidine-1-carboxylate has a molecular weight of 560.70 g/mol, XLogP of 4.37, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [12-ethyl-8-(hydroxymethyl)-7-(1-hydroxypropyl)-9-oxo-11H-indolizino[1,2-b]quinolin-2-yl] 4-piperidin-1-ylpiperidine-1-carboxylate is sourced from PubChem (CID 169439972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).