2-[1-(1-methylpyrrole-2-carbonyl)piperidin-2-yl]ethyl 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetate

C24H29N3O5 — CID 56528578

About 2-[1-(1-methylpyrrole-2-carbonyl)piperidin-2-yl]ethyl 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetate

2-[1-(1-methylpyrrole-2-carbonyl)piperidin-2-yl]ethyl 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetate (PubChem CID 56528578) has the molecular formula C24H29N3O5 and a molecular weight of 439.51 g/mol. Its IUPAC name is 2-[1-(1-methylpyrrole-2-carbonyl)piperidin-2-yl]ethyl 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetate.

Molecular Properties

• Compound Name: 2-[1-(1-methylpyrrole-2-carbonyl)piperidin-2-yl]ethyl 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetate
• PubChem CID: 56528578
• Molecular Formula: C24H29N3O5
• Molecular Weight: 439.51 g/mol
• Exact Mass: 439.21
• IUPAC Name: 2-[1-(1-methylpyrrole-2-carbonyl)piperidin-2-yl]ethyl 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetate
• SMILES: Cn1cccc1C(=O)N1CCCCC1CCOC(=O)COc1ccc2c(c1)CCC(=O)N2
• InChI: InChI=1S/C24H29N3O5/c1-26-12-4-6-21(26)24(30)27-13-3-2-5-18(27)11-14-31-23(29)16-32-19-8-9-20-17(15-19)7-10-22(28)25-20/h4,6,8-9,12,15,18H,2-3,5,7,10-11,13-14,16H2,1H3,(H,25,28)
• InChIKey: XDHDZLOCSHEEPU-UHFFFAOYSA-N
• XLogP: 2.92
• TPSA: 89.87 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	439.51
LogP ≤ 5	2.92
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1-methylpyrrole-2-carbonyl)piperidin-2-yl]ethyl 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetate?

The IUPAC name of 2-[1-(1-methylpyrrole-2-carbonyl)piperidin-2-yl]ethyl 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetate (CID 56528578) is 2-[1-(1-methylpyrrole-2-carbonyl)piperidin-2-yl]ethyl 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetate.

What is the SMILES notation for 2-[1-(1-methylpyrrole-2-carbonyl)piperidin-2-yl]ethyl 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetate?

The canonical SMILES for 2-[1-(1-methylpyrrole-2-carbonyl)piperidin-2-yl]ethyl 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetate is Cn1cccc1C(=O)N1CCCCC1CCOC(=O)COc1ccc2c(c1)CCC(=O)N2.

What is the InChIKey of 2-[1-(1-methylpyrrole-2-carbonyl)piperidin-2-yl]ethyl 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetate?

The InChIKey is XDHDZLOCSHEEPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O5/c1-26-12-4-6-21(26)24(30)27-13-3-2-5-18(27)11-14-31-23(29)16-32-19-8-9-20-17(15-19)7-10-22(28)25-20/h4,6,8-9,12,15,18H,2-3,5,7,10-11,13-14,16H2,1H3,(H,25,28).

What are the key properties of 2-[1-(1-methylpyrrole-2-carbonyl)piperidin-2-yl]ethyl 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetate?

2-[1-(1-methylpyrrole-2-carbonyl)piperidin-2-yl]ethyl 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetate has a molecular weight of 439.51 g/mol, XLogP of 2.92, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-(1-methylpyrrole-2-carbonyl)piperidin-2-yl]ethyl 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetate is sourced from PubChem (CID 56528578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).