8-bromo-1-(3-hydroxycyclohexyl)-3H-imidazo[4,5-c]quinolin-2-one;8-bromo-1-(3-hydroxycyclohexyl)-3-methylimidazo[4,5-c]quinolin-2-one;iodomethane;methane

C35H41Br2IN6O4 — CID 157123444

About 8-bromo-1-(3-hydroxycyclohexyl)-3H-imidazo[4,5-c]quinolin-2-one;8-bromo-1-(3-hydroxycyclohexyl)-3-methylimidazo[4,5-c]quinolin-2-one;iodomethane;methane

8-bromo-1-(3-hydroxycyclohexyl)-3H-imidazo[4,5-c]quinolin-2-one;8-bromo-1-(3-hydroxycyclohexyl)-3-methylimidazo[4,5-c]quinolin-2-one;iodomethane;methane (PubChem CID 157123444) has the molecular formula C35H41Br2IN6O4 and a molecular weight of 896.46 g/mol. Its IUPAC name is 8-bromo-1-(3-hydroxycyclohexyl)-3H-imidazo[4,5-c]quinolin-2-one;8-bromo-1-(3-hydroxycyclohexyl)-3-methylimidazo[4,5-c]quinolin-2-one;iodomethane;methane.

Molecular Properties

• Compound Name: 8-bromo-1-(3-hydroxycyclohexyl)-3H-imidazo[4,5-c]quinolin-2-one;8-bromo-1-(3-hydroxycyclohexyl)-3-methylimidazo[4,5-c]quinolin-2-one;iodomethane;methane
• PubChem CID: 157123444
• Molecular Formula: C35H41Br2IN6O4
• Molecular Weight: 896.46 g/mol
• Exact Mass: 894.06
• IUPAC Name: 8-bromo-1-(3-hydroxycyclohexyl)-3H-imidazo[4,5-c]quinolin-2-one;8-bromo-1-(3-hydroxycyclohexyl)-3-methylimidazo[4,5-c]quinolin-2-one;iodomethane;methane
• SMILES: C.CI.Cn1c(=O)n(C2CCCC(O)C2)c2c3cc(Br)ccc3ncc21.O=c1[nH]c2cnc3ccc(Br)cc3c2n1C1CCCC(O)C1
• InChI: InChI=1S/C17H18BrN3O2.C16H16BrN3O2.CH3I.CH4/c1-20-15-9-19-14-6-5-10(18)7-13(14)16(15)21(17(20)23)11-3-2-4-12(22)8-11;17-9-4-5-13-12(6-9)15-14(8-18-13)19-16(22)20(15)10-2-1-3-11(21)7-10;1-2;/h5-7,9,11-12,22H,2-4,8H2,1H3;4-6,8,10-11,21H,1-3,7H2,(H,19,22);1H3;1H4
• InChIKey: AIFZHUKBISIIRK-UHFFFAOYSA-N
• XLogP: 7.93
• TPSA: 130.96 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 2
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	896.46
LogP ≤ 5	7.93
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 8-bromo-1-(3-hydroxycyclohexyl)-3H-imidazo[4,5-c]quinolin-2-one;8-bromo-1-(3-hydroxycyclohexyl)-3-methylimidazo[4,5-c]quinolin-2-one;iodomethane;methane?

The IUPAC name of 8-bromo-1-(3-hydroxycyclohexyl)-3H-imidazo[4,5-c]quinolin-2-one;8-bromo-1-(3-hydroxycyclohexyl)-3-methylimidazo[4,5-c]quinolin-2-one;iodomethane;methane (CID 157123444) is 8-bromo-1-(3-hydroxycyclohexyl)-3H-imidazo[4,5-c]quinolin-2-one;8-bromo-1-(3-hydroxycyclohexyl)-3-methylimidazo[4,5-c]quinolin-2-one;iodomethane;methane.

What is the SMILES notation for 8-bromo-1-(3-hydroxycyclohexyl)-3H-imidazo[4,5-c]quinolin-2-one;8-bromo-1-(3-hydroxycyclohexyl)-3-methylimidazo[4,5-c]quinolin-2-one;iodomethane;methane?

The canonical SMILES for 8-bromo-1-(3-hydroxycyclohexyl)-3H-imidazo[4,5-c]quinolin-2-one;8-bromo-1-(3-hydroxycyclohexyl)-3-methylimidazo[4,5-c]quinolin-2-one;iodomethane;methane is C.CI.Cn1c(=O)n(C2CCCC(O)C2)c2c3cc(Br)ccc3ncc21.O=c1[nH]c2cnc3ccc(Br)cc3c2n1C1CCCC(O)C1.

What is the InChIKey of 8-bromo-1-(3-hydroxycyclohexyl)-3H-imidazo[4,5-c]quinolin-2-one;8-bromo-1-(3-hydroxycyclohexyl)-3-methylimidazo[4,5-c]quinolin-2-one;iodomethane;methane?

The InChIKey is AIFZHUKBISIIRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrN3O2.C16H16BrN3O2.CH3I.CH4/c1-20-15-9-19-14-6-5-10(18)7-13(14)16(15)21(17(20)23)11-3-2-4-12(22)8-11;17-9-4-5-13-12(6-9)15-14(8-18-13)19-16(22)20(15)10-2-1-3-11(21)7-10;1-2;/h5-7,9,11-12,22H,2-4,8H2,1H3;4-6,8,10-11,21H,1-3,7H2,(H,19,22);1H3;1H4.

What are the key properties of 8-bromo-1-(3-hydroxycyclohexyl)-3H-imidazo[4,5-c]quinolin-2-one;8-bromo-1-(3-hydroxycyclohexyl)-3-methylimidazo[4,5-c]quinolin-2-one;iodomethane;methane?

8-bromo-1-(3-hydroxycyclohexyl)-3H-imidazo[4,5-c]quinolin-2-one;8-bromo-1-(3-hydroxycyclohexyl)-3-methylimidazo[4,5-c]quinolin-2-one;iodomethane;methane has a molecular weight of 896.46 g/mol, XLogP of 7.93, 2 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 8-bromo-1-(3-hydroxycyclohexyl)-3H-imidazo[4,5-c]quinolin-2-one;8-bromo-1-(3-hydroxycyclohexyl)-3-methylimidazo[4,5-c]quinolin-2-one;iodomethane;methane is sourced from PubChem (CID 157123444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).