ethyl 4-[2-[[7-methyl-4-[2-oxo-2-(2-oxopyrrolidin-1-yl)ethoxy]quinoline-2-carbonyl]amino]-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoyl]piperazine-1-carboxylate

C33H43N5O9 — CID 68601856

About ethyl 4-[2-[[7-methyl-4-[2-oxo-2-(2-oxopyrrolidin-1-yl)ethoxy]quinoline-2-carbonyl]amino]-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoyl]piperazine-1-carboxylate

ethyl 4-[2-[[7-methyl-4-[2-oxo-2-(2-oxopyrrolidin-1-yl)ethoxy]quinoline-2-carbonyl]amino]-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoyl]piperazine-1-carboxylate (PubChem CID 68601856) has the molecular formula C33H43N5O9 and a molecular weight of 653.73 g/mol. Its IUPAC name is ethyl 4-[2-[[7-methyl-4-[2-oxo-2-(2-oxopyrrolidin-1-yl)ethoxy]quinoline-2-carbonyl]amino]-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoyl]piperazine-1-carboxylate.

Molecular Properties

• Compound Name: ethyl 4-[2-[[7-methyl-4-[2-oxo-2-(2-oxopyrrolidin-1-yl)ethoxy]quinoline-2-carbonyl]amino]-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoyl]piperazine-1-carboxylate
• PubChem CID: 68601856
• Molecular Formula: C33H43N5O9
• Molecular Weight: 653.73 g/mol
• Exact Mass: 653.31
• IUPAC Name: ethyl 4-[2-[[7-methyl-4-[2-oxo-2-(2-oxopyrrolidin-1-yl)ethoxy]quinoline-2-carbonyl]amino]-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoyl]piperazine-1-carboxylate
• SMILES: CCOC(=O)N1CCN(C(=O)C(CCC(=O)OC(C)(C)C)NC(=O)c2cc(OCC(=O)N3CCCC3=O)c3ccc(C)cc3n2)CC1
• InChI: InChI=1S/C33H43N5O9/c1-6-45-32(44)37-16-14-36(15-17-37)31(43)23(11-12-29(41)47-33(3,4)5)35-30(42)25-19-26(22-10-9-21(2)18-24(22)34-25)46-20-28(40)38-13-7-8-27(38)39/h9-10,18-19,23H,6-8,11-17,20H2,1-5H3,(H,35,42)
• InChIKey: RCYSJDXCQPDRHO-UHFFFAOYSA-N
• XLogP: 2.59
• TPSA: 164.75 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	653.73
LogP ≤ 5	2.59
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-[[7-methyl-4-[2-oxo-2-(2-oxopyrrolidin-1-yl)ethoxy]quinoline-2-carbonyl]amino]-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoyl]piperazine-1-carboxylate?

The IUPAC name of ethyl 4-[2-[[7-methyl-4-[2-oxo-2-(2-oxopyrrolidin-1-yl)ethoxy]quinoline-2-carbonyl]amino]-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoyl]piperazine-1-carboxylate (CID 68601856) is ethyl 4-[2-[[7-methyl-4-[2-oxo-2-(2-oxopyrrolidin-1-yl)ethoxy]quinoline-2-carbonyl]amino]-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoyl]piperazine-1-carboxylate.

What is the SMILES notation for ethyl 4-[2-[[7-methyl-4-[2-oxo-2-(2-oxopyrrolidin-1-yl)ethoxy]quinoline-2-carbonyl]amino]-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoyl]piperazine-1-carboxylate?

The canonical SMILES for ethyl 4-[2-[[7-methyl-4-[2-oxo-2-(2-oxopyrrolidin-1-yl)ethoxy]quinoline-2-carbonyl]amino]-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)C(CCC(=O)OC(C)(C)C)NC(=O)c2cc(OCC(=O)N3CCCC3=O)c3ccc(C)cc3n2)CC1.

What is the InChIKey of ethyl 4-[2-[[7-methyl-4-[2-oxo-2-(2-oxopyrrolidin-1-yl)ethoxy]quinoline-2-carbonyl]amino]-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoyl]piperazine-1-carboxylate?

The InChIKey is RCYSJDXCQPDRHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H43N5O9/c1-6-45-32(44)37-16-14-36(15-17-37)31(43)23(11-12-29(41)47-33(3,4)5)35-30(42)25-19-26(22-10-9-21(2)18-24(22)34-25)46-20-28(40)38-13-7-8-27(38)39/h9-10,18-19,23H,6-8,11-17,20H2,1-5H3,(H,35,42).

What are the key properties of ethyl 4-[2-[[7-methyl-4-[2-oxo-2-(2-oxopyrrolidin-1-yl)ethoxy]quinoline-2-carbonyl]amino]-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoyl]piperazine-1-carboxylate?

ethyl 4-[2-[[7-methyl-4-[2-oxo-2-(2-oxopyrrolidin-1-yl)ethoxy]quinoline-2-carbonyl]amino]-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoyl]piperazine-1-carboxylate has a molecular weight of 653.73 g/mol, XLogP of 2.59, 10 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 4-[2-[[7-methyl-4-[2-oxo-2-(2-oxopyrrolidin-1-yl)ethoxy]quinoline-2-carbonyl]amino]-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoyl]piperazine-1-carboxylate is sourced from PubChem (CID 68601856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).