8-bromo-2-ethoxy-7-methoxy-4-[(2-methylpropan-2-yl)oxy]quinoline;1-tert-butyl-7-methoxycinnolin-4-one;8-chloro-2-ethoxy-7-methoxy-4-[(2-methylpropan-2-yl)oxy]quinoline;6-cyclopropyloxy-1-[(2-methylpropan-2-yl)oxy]isoquinoline;2-ethoxy-7-methoxy-8-methyl-4-[(2-methylpropan-2-yl)oxy]quinoline;6-(2-methoxyethoxy)-1-[(2-methylpropan-2-yl)oxy]isoquinoline;7-methoxy-4-[(2-methylpropan-2-yl)oxy]-2-pyrazol-1-ylquinoline

C₁₁₁H₁₃₈BrClN₁₀O₁₈ — CID 159981825

About 8-bromo-2-ethoxy-7-methoxy-4-[(2-methylpropan-2-yl)oxy]quinoline;1-tert-butyl-7-methoxycinnolin-4-one;8-chloro-2-ethoxy-7-methoxy-4-[(2-methylpropan-2-yl)oxy]quinoline;6-cyclopropyloxy-1-[(2-methylpropan-2-yl)oxy]isoquinoline;2-ethoxy-7-methoxy-8-methyl-4-[(2-methylpropan-2-yl)oxy]quinoline;6-(2-methoxyethoxy)-1-[(2-methylpropan-2-yl)oxy]isoquinoline;7-methoxy-4-[(2-methylpropan-2-yl)oxy]-2-pyrazol-1-ylquinoline

8-bromo-2-ethoxy-7-methoxy-4-[(2-methylpropan-2-yl)oxy]quinoline;1-tert-butyl-7-methoxycinnolin-4-one;8-chloro-2-ethoxy-7-methoxy-4-[(2-methylpropan-2-yl)oxy]quinoline;6-cyclopropyloxy-1-[(2-methylpropan-2-yl)oxy]isoquinoline;2-ethoxy-7-methoxy-8-methyl-4-[(2-methylpropan-2-yl)oxy]quinoline;6-(2-methoxyethoxy)-1-[(2-methylpropan-2-yl)oxy]isoquinoline;7-methoxy-4-[(2-methylpropan-2-yl)oxy]-2-pyrazol-1-ylquinoline (PubChem CID 159981825) has the molecular formula C₁₁₁H₁₃₈BrClN₁₀O₁₈ and a molecular weight of 2015.73 g/mol. Its IUPAC name is 8-bromo-2-ethoxy-7-methoxy-4-[(2-methylpropan-2-yl)oxy]quinoline;1-tert-butyl-7-methoxycinnolin-4-one;8-chloro-2-ethoxy-7-methoxy-4-[(2-methylpropan-2-yl)oxy]quinoline;6-cyclopropyloxy-1-[(2-methylpropan-2-yl)oxy]isoquinoline;2-ethoxy-7-methoxy-8-methyl-4-[(2-methylpropan-2-yl)oxy]quinoline;6-(2-methoxyethoxy)-1-[(2-methylpropan-2-yl)oxy]isoquinoline;7-methoxy-4-[(2-methylpropan-2-yl)oxy]-2-pyrazol-1-ylquinoline.

Molecular Properties

• Compound Name: 8-bromo-2-ethoxy-7-methoxy-4-[(2-methylpropan-2-yl)oxy]quinoline;1-tert-butyl-7-methoxycinnolin-4-one;8-chloro-2-ethoxy-7-methoxy-4-[(2-methylpropan-2-yl)oxy]quinoline;6-cyclopropyloxy-1-[(2-methylpropan-2-yl)oxy]isoquinoline;2-ethoxy-7-methoxy-8-methyl-4-[(2-methylpropan-2-yl)oxy]quinoline;6-(2-methoxyethoxy)-1-[(2-methylpropan-2-yl)oxy]isoquinoline;7-methoxy-4-[(2-methylpropan-2-yl)oxy]-2-pyrazol-1-ylquinoline
• PubChem CID: 159981825
• Molecular Formula: C₁₁₁H₁₃₈BrClN₁₀O₁₈
• Molecular Weight: 2015.73 g/mol
• Exact Mass: 2012.91
• IUPAC Name: 8-bromo-2-ethoxy-7-methoxy-4-[(2-methylpropan-2-yl)oxy]quinoline;1-tert-butyl-7-methoxycinnolin-4-one;8-chloro-2-ethoxy-7-methoxy-4-[(2-methylpropan-2-yl)oxy]quinoline;6-cyclopropyloxy-1-[(2-methylpropan-2-yl)oxy]isoquinoline;2-ethoxy-7-methoxy-8-methyl-4-[(2-methylpropan-2-yl)oxy]quinoline;6-(2-methoxyethoxy)-1-[(2-methylpropan-2-yl)oxy]isoquinoline;7-methoxy-4-[(2-methylpropan-2-yl)oxy]-2-pyrazol-1-ylquinoline
• SMILES: CC(C)(C)Oc1nccc2cc(OC3CC3)ccc12.CCOc1cc(OC(C)(C)C)c2ccc(OC)c(Br)c2n1.CCOc1cc(OC(C)(C)C)c2ccc(OC)c(C)c2n1.CCOc1cc(OC(C)(C)C)c2ccc(OC)c(Cl)c2n1.COCCOc1ccc2c(OC(C)(C)C)nccc2c1.COc1ccc2c(=O)cnn(C(C)(C)C)c2c1.COc1ccc2c(OC(C)(C)C)cc(-n3cccn3)nc2c1
• InChI: InChI=1S/C17H19N3O2.C17H23NO3.C16H20BrNO3.C16H20ClNO3.C16H21NO3.C16H19NO2.C13H16N2O2/c1-17(2,3)22-15-11-16(20-9-5-8-18-20)19-14-10-12(21-4)6-7-13(14)15;1-7-20-15-10-14(21-17(3,4)5)12-8-9-13(19-6)11(2)16(12)18-15;2*1-6-20-13-9-12(21-16(2,3)4)10-7-8-11(19-5)14(17)15(10)18-13;1-16(2,3)20-15-14-6-5-13(19-10-9-18-4)11-12(14)7-8-17-15;1-16(2,3)19-15-14-7-6-13(18-12-4-5-12)10-11(14)8-9-17-15;1-13(2,3)15-11-7-9(17-4)5-6-10(11)12(16)8-14-15/h5-11H,1-4H3;8-10H,7H2,1-6H3;2*7-9H,6H2,1-5H3;5-8,11H,9-10H2,1-4H3;6-10,12H,4-5H2,1-3H3;5-8H,1-4H3
• InChIKey: OFWFRSQQUXLEBN-UHFFFAOYSA-N
• XLogP: 26.34
• TPSA: 286.96 Ų
• H-Bond Acceptors: 28
• Rotatable Bonds: 24
• Heavy Atoms: 141
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2015.73
LogP ≤ 5	26.34
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 8-bromo-2-ethoxy-7-methoxy-4-[(2-methylpropan-2-yl)oxy]quinoline;1-tert-butyl-7-methoxycinnolin-4-one;8-chloro-2-ethoxy-7-methoxy-4-[(2-methylpropan-2-yl)oxy]quinoline;6-cyclopropyloxy-1-[(2-methylpropan-2-yl)oxy]isoquinoline;2-ethoxy-7-methoxy-8-methyl-4-[(2-methylpropan-2-yl)oxy]quinoline;6-(2-methoxyethoxy)-1-[(2-methylpropan-2-yl)oxy]isoquinoline;7-methoxy-4-[(2-methylpropan-2-yl)oxy]-2-pyrazol-1-ylquinoline?

The IUPAC name of 8-bromo-2-ethoxy-7-methoxy-4-[(2-methylpropan-2-yl)oxy]quinoline;1-tert-butyl-7-methoxycinnolin-4-one;8-chloro-2-ethoxy-7-methoxy-4-[(2-methylpropan-2-yl)oxy]quinoline;6-cyclopropyloxy-1-[(2-methylpropan-2-yl)oxy]isoquinoline;2-ethoxy-7-methoxy-8-methyl-4-[(2-methylpropan-2-yl)oxy]quinoline;6-(2-methoxyethoxy)-1-[(2-methylpropan-2-yl)oxy]isoquinoline;7-methoxy-4-[(2-methylpropan-2-yl)oxy]-2-pyrazol-1-ylquinoline (CID 159981825) is 8-bromo-2-ethoxy-7-methoxy-4-[(2-methylpropan-2-yl)oxy]quinoline;1-tert-butyl-7-methoxycinnolin-4-one;8-chloro-2-ethoxy-7-methoxy-4-[(2-methylpropan-2-yl)oxy]quinoline;6-cyclopropyloxy-1-[(2-methylpropan-2-yl)oxy]isoquinoline;2-ethoxy-7-methoxy-8-methyl-4-[(2-methylpropan-2-yl)oxy]quinoline;6-(2-methoxyethoxy)-1-[(2-methylpropan-2-yl)oxy]isoquinoline;7-methoxy-4-[(2-methylpropan-2-yl)oxy]-2-pyrazol-1-ylquinoline.

What is the SMILES notation for 8-bromo-2-ethoxy-7-methoxy-4-[(2-methylpropan-2-yl)oxy]quinoline;1-tert-butyl-7-methoxycinnolin-4-one;8-chloro-2-ethoxy-7-methoxy-4-[(2-methylpropan-2-yl)oxy]quinoline;6-cyclopropyloxy-1-[(2-methylpropan-2-yl)oxy]isoquinoline;2-ethoxy-7-methoxy-8-methyl-4-[(2-methylpropan-2-yl)oxy]quinoline;6-(2-methoxyethoxy)-1-[(2-methylpropan-2-yl)oxy]isoquinoline;7-methoxy-4-[(2-methylpropan-2-yl)oxy]-2-pyrazol-1-ylquinoline?

The canonical SMILES for 8-bromo-2-ethoxy-7-methoxy-4-[(2-methylpropan-2-yl)oxy]quinoline;1-tert-butyl-7-methoxycinnolin-4-one;8-chloro-2-ethoxy-7-methoxy-4-[(2-methylpropan-2-yl)oxy]quinoline;6-cyclopropyloxy-1-[(2-methylpropan-2-yl)oxy]isoquinoline;2-ethoxy-7-methoxy-8-methyl-4-[(2-methylpropan-2-yl)oxy]quinoline;6-(2-methoxyethoxy)-1-[(2-methylpropan-2-yl)oxy]isoquinoline;7-methoxy-4-[(2-methylpropan-2-yl)oxy]-2-pyrazol-1-ylquinoline is CC(C)(C)Oc1nccc2cc(OC3CC3)ccc12.CCOc1cc(OC(C)(C)C)c2ccc(OC)c(Br)c2n1.CCOc1cc(OC(C)(C)C)c2ccc(OC)c(C)c2n1.CCOc1cc(OC(C)(C)C)c2ccc(OC)c(Cl)c2n1.COCCOc1ccc2c(OC(C)(C)C)nccc2c1.COc1ccc2c(=O)cnn(C(C)(C)C)c2c1.COc1ccc2c(OC(C)(C)C)cc(-n3cccn3)nc2c1.

What is the InChIKey of 8-bromo-2-ethoxy-7-methoxy-4-[(2-methylpropan-2-yl)oxy]quinoline;1-tert-butyl-7-methoxycinnolin-4-one;8-chloro-2-ethoxy-7-methoxy-4-[(2-methylpropan-2-yl)oxy]quinoline;6-cyclopropyloxy-1-[(2-methylpropan-2-yl)oxy]isoquinoline;2-ethoxy-7-methoxy-8-methyl-4-[(2-methylpropan-2-yl)oxy]quinoline;6-(2-methoxyethoxy)-1-[(2-methylpropan-2-yl)oxy]isoquinoline;7-methoxy-4-[(2-methylpropan-2-yl)oxy]-2-pyrazol-1-ylquinoline?

The InChIKey is OFWFRSQQUXLEBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2.C17H23NO3.C16H20BrNO3.C16H20ClNO3.C16H21NO3.C16H19NO2.C13H16N2O2/c1-17(2,3)22-15-11-16(20-9-5-8-18-20)19-14-10-12(21-4)6-7-13(14)15;1-7-20-15-10-14(21-17(3,4)5)12-8-9-13(19-6)11(2)16(12)18-15;2*1-6-20-13-9-12(21-16(2,3)4)10-7-8-11(19-5)14(17)15(10)18-13;1-16(2,3)20-15-14-6-5-13(19-10-9-18-4)11-12(14)7-8-17-15;1-16(2,3)19-15-14-7-6-13(18-12-4-5-12)10-11(14)8-9-17-15;1-13(2,3)15-11-7-9(17-4)5-6-10(11)12(16)8-14-15/h5-11H,1-4H3;8-10H,7H2,1-6H3;2*7-9H,6H2,1-5H3;5-8,11H,9-10H2,1-4H3;6-10,12H,4-5H2,1-3H3;5-8H,1-4H3.

What are the key properties of 8-bromo-2-ethoxy-7-methoxy-4-[(2-methylpropan-2-yl)oxy]quinoline;1-tert-butyl-7-methoxycinnolin-4-one;8-chloro-2-ethoxy-7-methoxy-4-[(2-methylpropan-2-yl)oxy]quinoline;6-cyclopropyloxy-1-[(2-methylpropan-2-yl)oxy]isoquinoline;2-ethoxy-7-methoxy-8-methyl-4-[(2-methylpropan-2-yl)oxy]quinoline;6-(2-methoxyethoxy)-1-[(2-methylpropan-2-yl)oxy]isoquinoline;7-methoxy-4-[(2-methylpropan-2-yl)oxy]-2-pyrazol-1-ylquinoline?

8-bromo-2-ethoxy-7-methoxy-4-[(2-methylpropan-2-yl)oxy]quinoline;1-tert-butyl-7-methoxycinnolin-4-one;8-chloro-2-ethoxy-7-methoxy-4-[(2-methylpropan-2-yl)oxy]quinoline;6-cyclopropyloxy-1-[(2-methylpropan-2-yl)oxy]isoquinoline;2-ethoxy-7-methoxy-8-methyl-4-[(2-methylpropan-2-yl)oxy]quinoline;6-(2-methoxyethoxy)-1-[(2-methylpropan-2-yl)oxy]isoquinoline;7-methoxy-4-[(2-methylpropan-2-yl)oxy]-2-pyrazol-1-ylquinoline has a molecular weight of 2015.73 g/mol, XLogP of 26.34, 24 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 8-bromo-2-ethoxy-7-methoxy-4-[(2-methylpropan-2-yl)oxy]quinoline;1-tert-butyl-7-methoxycinnolin-4-one;8-chloro-2-ethoxy-7-methoxy-4-[(2-methylpropan-2-yl)oxy]quinoline;6-cyclopropyloxy-1-[(2-methylpropan-2-yl)oxy]isoquinoline;2-ethoxy-7-methoxy-8-methyl-4-[(2-methylpropan-2-yl)oxy]quinoline;6-(2-methoxyethoxy)-1-[(2-methylpropan-2-yl)oxy]isoquinoline;7-methoxy-4-[(2-methylpropan-2-yl)oxy]-2-pyrazol-1-ylquinoline is sourced from PubChem (CID 159981825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 159981825 — identifiers, structure, computed properties (public domain)

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