N-cyclohexyl-N-(1-hydroxyethyl)-6-[[3-(hydroxymethyl)-2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-9-yl]oxy]hexanamide

C25H36N4O5 — CID 135626317

About N-cyclohexyl-N-(1-hydroxyethyl)-6-[[3-(hydroxymethyl)-2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-9-yl]oxy]hexanamide

N-cyclohexyl-N-(1-hydroxyethyl)-6-[[3-(hydroxymethyl)-2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-9-yl]oxy]hexanamide (PubChem CID 135626317) has the molecular formula C25H36N4O5 and a molecular weight of 472.59 g/mol. Its IUPAC name is N-cyclohexyl-N-(1-hydroxyethyl)-6-[[3-(hydroxymethyl)-2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-9-yl]oxy]hexanamide.

Molecular Properties

• Compound Name: N-cyclohexyl-N-(1-hydroxyethyl)-6-[[3-(hydroxymethyl)-2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-9-yl]oxy]hexanamide
• PubChem CID: 135626317
• Molecular Formula: C25H36N4O5
• Molecular Weight: 472.59 g/mol
• Exact Mass: 472.27
• IUPAC Name: N-cyclohexyl-N-(1-hydroxyethyl)-6-[[3-(hydroxymethyl)-2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-9-yl]oxy]hexanamide
• SMILES: CC(O)N(C(=O)CCCCCOc1cccc2c1N=C1NC(=O)C(CO)N1C2)C1CCCCC1
• InChI: InChI=1S/C25H36N4O5/c1-17(31)29(19-10-4-2-5-11-19)22(32)13-6-3-7-14-34-21-12-8-9-18-15-28-20(16-30)24(33)27-25(28)26-23(18)21/h8-9,12,17,19-20,30-31H,2-7,10-11,13-16H2,1H3,(H,26,27,33)
• InChIKey: WDNDEKJTDSLLOW-UHFFFAOYSA-N
• XLogP: 2.42
• TPSA: 114.70 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	472.59
LogP ≤ 5	2.42
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-(1-hydroxyethyl)-6-[[3-(hydroxymethyl)-2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-9-yl]oxy]hexanamide?

The IUPAC name of N-cyclohexyl-N-(1-hydroxyethyl)-6-[[3-(hydroxymethyl)-2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-9-yl]oxy]hexanamide (CID 135626317) is N-cyclohexyl-N-(1-hydroxyethyl)-6-[[3-(hydroxymethyl)-2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-9-yl]oxy]hexanamide.

What is the SMILES notation for N-cyclohexyl-N-(1-hydroxyethyl)-6-[[3-(hydroxymethyl)-2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-9-yl]oxy]hexanamide?

The canonical SMILES for N-cyclohexyl-N-(1-hydroxyethyl)-6-[[3-(hydroxymethyl)-2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-9-yl]oxy]hexanamide is CC(O)N(C(=O)CCCCCOc1cccc2c1N=C1NC(=O)C(CO)N1C2)C1CCCCC1.

What is the InChIKey of N-cyclohexyl-N-(1-hydroxyethyl)-6-[[3-(hydroxymethyl)-2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-9-yl]oxy]hexanamide?

The InChIKey is WDNDEKJTDSLLOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36N4O5/c1-17(31)29(19-10-4-2-5-11-19)22(32)13-6-3-7-14-34-21-12-8-9-18-15-28-20(16-30)24(33)27-25(28)26-23(18)21/h8-9,12,17,19-20,30-31H,2-7,10-11,13-16H2,1H3,(H,26,27,33).

What are the key properties of N-cyclohexyl-N-(1-hydroxyethyl)-6-[[3-(hydroxymethyl)-2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-9-yl]oxy]hexanamide?

N-cyclohexyl-N-(1-hydroxyethyl)-6-[[3-(hydroxymethyl)-2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-9-yl]oxy]hexanamide has a molecular weight of 472.59 g/mol, XLogP of 2.42, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclohexyl-N-(1-hydroxyethyl)-6-[[3-(hydroxymethyl)-2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-9-yl]oxy]hexanamide is sourced from PubChem (CID 135626317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).