methyl 2-[cyclohexyl-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]quinolin-7-yl)oxy]butanoyl]amino]acetate

C23H28N4O5 — CID 14281006

About methyl 2-[cyclohexyl-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]quinolin-7-yl)oxy]butanoyl]amino]acetate

methyl 2-[cyclohexyl-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]quinolin-7-yl)oxy]butanoyl]amino]acetate (PubChem CID 14281006) has the molecular formula C23H28N4O5 and a molecular weight of 440.50 g/mol. Its IUPAC name is methyl 2-[cyclohexyl-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]quinolin-7-yl)oxy]butanoyl]amino]acetate.

Molecular Properties

• Compound Name: methyl 2-[cyclohexyl-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]quinolin-7-yl)oxy]butanoyl]amino]acetate
• PubChem CID: 14281006
• Molecular Formula: C23H28N4O5
• Molecular Weight: 440.50 g/mol
• Exact Mass: 440.21
• IUPAC Name: methyl 2-[cyclohexyl-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]quinolin-7-yl)oxy]butanoyl]amino]acetate
• SMILES: COC(=O)CN(C(=O)CCCOc1ccc2nc3[nH]c(=O)[nH]c3cc2c1)C1CCCCC1
• InChI: InChI=1S/C23H28N4O5/c1-31-21(29)14-27(16-6-3-2-4-7-16)20(28)8-5-11-32-17-9-10-18-15(12-17)13-19-22(24-18)26-23(30)25-19/h9-10,12-13,16H,2-8,11,14H2,1H3,(H2,24,25,26,30)
• InChIKey: QUDPEUROOLGXHA-UHFFFAOYSA-N
• XLogP: 2.90
• TPSA: 117.38 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	440.50
LogP ≤ 5	2.90
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of methyl 2-[cyclohexyl-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]quinolin-7-yl)oxy]butanoyl]amino]acetate?

The IUPAC name of methyl 2-[cyclohexyl-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]quinolin-7-yl)oxy]butanoyl]amino]acetate (CID 14281006) is methyl 2-[cyclohexyl-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]quinolin-7-yl)oxy]butanoyl]amino]acetate.

What is the SMILES notation for methyl 2-[cyclohexyl-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]quinolin-7-yl)oxy]butanoyl]amino]acetate?

The canonical SMILES for methyl 2-[cyclohexyl-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]quinolin-7-yl)oxy]butanoyl]amino]acetate is COC(=O)CN(C(=O)CCCOc1ccc2nc3[nH]c(=O)[nH]c3cc2c1)C1CCCCC1.

What is the InChIKey of methyl 2-[cyclohexyl-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]quinolin-7-yl)oxy]butanoyl]amino]acetate?

The InChIKey is QUDPEUROOLGXHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O5/c1-31-21(29)14-27(16-6-3-2-4-7-16)20(28)8-5-11-32-17-9-10-18-15(12-17)13-19-22(24-18)26-23(30)25-19/h9-10,12-13,16H,2-8,11,14H2,1H3,(H2,24,25,26,30).

What are the key properties of methyl 2-[cyclohexyl-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]quinolin-7-yl)oxy]butanoyl]amino]acetate?

methyl 2-[cyclohexyl-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]quinolin-7-yl)oxy]butanoyl]amino]acetate has a molecular weight of 440.50 g/mol, XLogP of 2.90, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 2-[cyclohexyl-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]quinolin-7-yl)oxy]butanoyl]amino]acetate is sourced from PubChem (CID 14281006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).