3-(4-formylcyclohexyl)-2-(2-hydroxy-1-phenylethyl)-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carbaldehyde;methanol;methoxymethane

C30H41N3O5 — CID 142546171

About 3-(4-formylcyclohexyl)-2-(2-hydroxy-1-phenylethyl)-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carbaldehyde;methanol;methoxymethane

3-(4-formylcyclohexyl)-2-(2-hydroxy-1-phenylethyl)-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carbaldehyde;methanol;methoxymethane (PubChem CID 142546171) has the molecular formula C30H41N3O5 and a molecular weight of 523.67 g/mol. Its IUPAC name is 3-(4-formylcyclohexyl)-2-(2-hydroxy-1-phenylethyl)-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carbaldehyde;methanol;methoxymethane.

Molecular Properties

• Compound Name: 3-(4-formylcyclohexyl)-2-(2-hydroxy-1-phenylethyl)-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carbaldehyde;methanol;methoxymethane
• PubChem CID: 142546171
• Molecular Formula: C30H41N3O5
• Molecular Weight: 523.67 g/mol
• Exact Mass: 523.30
• IUPAC Name: 3-(4-formylcyclohexyl)-2-(2-hydroxy-1-phenylethyl)-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carbaldehyde;methanol;methoxymethane
• SMILES: CC1CCc2c(ccc3c2nc(C(CO)c2ccccc2)n3C2CCC(C=O)CC2)N1C=O.CO.COC
• InChI: InChI=1S/C27H31N3O3.C2H6O.CH4O/c1-18-7-12-22-24(29(18)17-33)13-14-25-26(22)28-27(23(16-32)20-5-3-2-4-6-20)30(25)21-10-8-19(15-31)9-11-21;1-3-2;1-2/h2-6,13-15,17-19,21,23,32H,7-12,16H2,1H3;1-2H3;2H,1H3
• InChIKey: PUTIKKLTCJTBFY-UHFFFAOYSA-N
• XLogP: 4.26
• TPSA: 104.89 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	523.67
LogP ≤ 5	4.26
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-(4-formylcyclohexyl)-2-(2-hydroxy-1-phenylethyl)-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carbaldehyde;methanol;methoxymethane?

The IUPAC name of 3-(4-formylcyclohexyl)-2-(2-hydroxy-1-phenylethyl)-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carbaldehyde;methanol;methoxymethane (CID 142546171) is 3-(4-formylcyclohexyl)-2-(2-hydroxy-1-phenylethyl)-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carbaldehyde;methanol;methoxymethane.

What is the SMILES notation for 3-(4-formylcyclohexyl)-2-(2-hydroxy-1-phenylethyl)-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carbaldehyde;methanol;methoxymethane?

The canonical SMILES for 3-(4-formylcyclohexyl)-2-(2-hydroxy-1-phenylethyl)-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carbaldehyde;methanol;methoxymethane is CC1CCc2c(ccc3c2nc(C(CO)c2ccccc2)n3C2CCC(C=O)CC2)N1C=O.CO.COC.

What is the InChIKey of 3-(4-formylcyclohexyl)-2-(2-hydroxy-1-phenylethyl)-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carbaldehyde;methanol;methoxymethane?

The InChIKey is PUTIKKLTCJTBFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N3O3.C2H6O.CH4O/c1-18-7-12-22-24(29(18)17-33)13-14-25-26(22)28-27(23(16-32)20-5-3-2-4-6-20)30(25)21-10-8-19(15-31)9-11-21;1-3-2;1-2/h2-6,13-15,17-19,21,23,32H,7-12,16H2,1H3;1-2H3;2H,1H3.

What are the key properties of 3-(4-formylcyclohexyl)-2-(2-hydroxy-1-phenylethyl)-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carbaldehyde;methanol;methoxymethane?

3-(4-formylcyclohexyl)-2-(2-hydroxy-1-phenylethyl)-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carbaldehyde;methanol;methoxymethane has a molecular weight of 523.67 g/mol, XLogP of 4.26, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(4-formylcyclohexyl)-2-(2-hydroxy-1-phenylethyl)-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carbaldehyde;methanol;methoxymethane is sourced from PubChem (CID 142546171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).