3-[3-hydroxy-4-oxo-6-(piperidin-1-ylmethyl)pyran-2-yl]-3-(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)propanamide

C24H25N3O7 — CID 110206270

About 3-[3-hydroxy-4-oxo-6-(piperidin-1-ylmethyl)pyran-2-yl]-3-(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)propanamide

3-[3-hydroxy-4-oxo-6-(piperidin-1-ylmethyl)pyran-2-yl]-3-(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)propanamide (PubChem CID 110206270) has the molecular formula C24H25N3O7 and a molecular weight of 467.48 g/mol. Its IUPAC name is 3-[3-hydroxy-4-oxo-6-(piperidin-1-ylmethyl)pyran-2-yl]-3-(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)propanamide.

Molecular Properties

• Compound Name: 3-[3-hydroxy-4-oxo-6-(piperidin-1-ylmethyl)pyran-2-yl]-3-(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)propanamide
• PubChem CID: 110206270
• Molecular Formula: C24H25N3O7
• Molecular Weight: 467.48 g/mol
• Exact Mass: 467.17
• IUPAC Name: 3-[3-hydroxy-4-oxo-6-(piperidin-1-ylmethyl)pyran-2-yl]-3-(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)propanamide
• SMILES: NC(=O)CC(c1oc(CN2CCCCC2)cc(=O)c1O)c1cc2cc3c(cc2[nH]c1=O)OCO3
• InChI: InChI=1S/C24H25N3O7/c25-21(29)9-15(16-6-13-7-19-20(33-12-32-19)10-17(13)26-24(16)31)23-22(30)18(28)8-14(34-23)11-27-4-2-1-3-5-27/h6-8,10,15,30H,1-5,9,11-12H2,(H2,25,29)(H,26,31)
• InChIKey: YDQAYZIYKPSAPP-UHFFFAOYSA-N
• XLogP: 1.91
• TPSA: 148.09 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	467.48
LogP ≤ 5	1.91
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 3-[3-hydroxy-4-oxo-6-(piperidin-1-ylmethyl)pyran-2-yl]-3-(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)propanamide?

The IUPAC name of 3-[3-hydroxy-4-oxo-6-(piperidin-1-ylmethyl)pyran-2-yl]-3-(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)propanamide (CID 110206270) is 3-[3-hydroxy-4-oxo-6-(piperidin-1-ylmethyl)pyran-2-yl]-3-(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)propanamide.

What is the SMILES notation for 3-[3-hydroxy-4-oxo-6-(piperidin-1-ylmethyl)pyran-2-yl]-3-(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)propanamide?

The canonical SMILES for 3-[3-hydroxy-4-oxo-6-(piperidin-1-ylmethyl)pyran-2-yl]-3-(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)propanamide is NC(=O)CC(c1oc(CN2CCCCC2)cc(=O)c1O)c1cc2cc3c(cc2[nH]c1=O)OCO3.

What is the InChIKey of 3-[3-hydroxy-4-oxo-6-(piperidin-1-ylmethyl)pyran-2-yl]-3-(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)propanamide?

The InChIKey is YDQAYZIYKPSAPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O7/c25-21(29)9-15(16-6-13-7-19-20(33-12-32-19)10-17(13)26-24(16)31)23-22(30)18(28)8-14(34-23)11-27-4-2-1-3-5-27/h6-8,10,15,30H,1-5,9,11-12H2,(H2,25,29)(H,26,31).

What are the key properties of 3-[3-hydroxy-4-oxo-6-(piperidin-1-ylmethyl)pyran-2-yl]-3-(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)propanamide?

3-[3-hydroxy-4-oxo-6-(piperidin-1-ylmethyl)pyran-2-yl]-3-(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)propanamide has a molecular weight of 467.48 g/mol, XLogP of 1.91, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-hydroxy-4-oxo-6-(piperidin-1-ylmethyl)pyran-2-yl]-3-(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)propanamide is sourced from PubChem (CID 110206270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).