4-[3-[4-(1-benzyl-6-methoxyindol-3-yl)-7-methoxyquinazolin-6-yl]oxypropyl]morpholine

C32H34N4O4 — CID 164616525

About 4-[3-[4-(1-benzyl-6-methoxyindol-3-yl)-7-methoxyquinazolin-6-yl]oxypropyl]morpholine

4-[3-[4-(1-benzyl-6-methoxyindol-3-yl)-7-methoxyquinazolin-6-yl]oxypropyl]morpholine (PubChem CID 164616525) has the molecular formula C32H34N4O4 and a molecular weight of 538.65 g/mol. Its IUPAC name is 4-[3-[4-(1-benzyl-6-methoxyindol-3-yl)-7-methoxyquinazolin-6-yl]oxypropyl]morpholine.

Molecular Properties

• Compound Name: 4-[3-[4-(1-benzyl-6-methoxyindol-3-yl)-7-methoxyquinazolin-6-yl]oxypropyl]morpholine
• PubChem CID: 164616525
• Molecular Formula: C32H34N4O4
• Molecular Weight: 538.65 g/mol
• Exact Mass: 538.26
• IUPAC Name: 4-[3-[4-(1-benzyl-6-methoxyindol-3-yl)-7-methoxyquinazolin-6-yl]oxypropyl]morpholine
• SMILES: COc1ccc2c(-c3ncnc4cc(OC)c(OCCCN5CCOCC5)cc34)cn(Cc3ccccc3)c2c1
• InChI: InChI=1S/C32H34N4O4/c1-37-24-9-10-25-27(21-36(29(25)17-24)20-23-7-4-3-5-8-23)32-26-18-31(30(38-2)19-28(26)33-22-34-32)40-14-6-11-35-12-15-39-16-13-35/h3-5,7-10,17-19,21-22H,6,11-16,20H2,1-2H3
• InChIKey: ZJDDIKZIONKSNB-UHFFFAOYSA-N
• XLogP: 5.42
• TPSA: 70.87 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	538.65
LogP ≤ 5	5.42
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[3-[4-(1-benzyl-6-methoxyindol-3-yl)-7-methoxyquinazolin-6-yl]oxypropyl]morpholine?

The IUPAC name of 4-[3-[4-(1-benzyl-6-methoxyindol-3-yl)-7-methoxyquinazolin-6-yl]oxypropyl]morpholine (CID 164616525) is 4-[3-[4-(1-benzyl-6-methoxyindol-3-yl)-7-methoxyquinazolin-6-yl]oxypropyl]morpholine.

What is the SMILES notation for 4-[3-[4-(1-benzyl-6-methoxyindol-3-yl)-7-methoxyquinazolin-6-yl]oxypropyl]morpholine?

The canonical SMILES for 4-[3-[4-(1-benzyl-6-methoxyindol-3-yl)-7-methoxyquinazolin-6-yl]oxypropyl]morpholine is COc1ccc2c(-c3ncnc4cc(OC)c(OCCCN5CCOCC5)cc34)cn(Cc3ccccc3)c2c1.

What is the InChIKey of 4-[3-[4-(1-benzyl-6-methoxyindol-3-yl)-7-methoxyquinazolin-6-yl]oxypropyl]morpholine?

The InChIKey is ZJDDIKZIONKSNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34N4O4/c1-37-24-9-10-25-27(21-36(29(25)17-24)20-23-7-4-3-5-8-23)32-26-18-31(30(38-2)19-28(26)33-22-34-32)40-14-6-11-35-12-15-39-16-13-35/h3-5,7-10,17-19,21-22H,6,11-16,20H2,1-2H3.

What are the key properties of 4-[3-[4-(1-benzyl-6-methoxyindol-3-yl)-7-methoxyquinazolin-6-yl]oxypropyl]morpholine?

4-[3-[4-(1-benzyl-6-methoxyindol-3-yl)-7-methoxyquinazolin-6-yl]oxypropyl]morpholine has a molecular weight of 538.65 g/mol, XLogP of 5.42, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-[4-(1-benzyl-6-methoxyindol-3-yl)-7-methoxyquinazolin-6-yl]oxypropyl]morpholine is sourced from PubChem (CID 164616525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).