4-[3-[7-methoxy-4-[2-(4-phenylphenyl)-1H-indol-3-yl]quinazolin-6-yl]oxypropyl]morpholine

C36H34N4O3 — CID 164610194

About 4-[3-[7-methoxy-4-[2-(4-phenylphenyl)-1H-indol-3-yl]quinazolin-6-yl]oxypropyl]morpholine

4-[3-[7-methoxy-4-[2-(4-phenylphenyl)-1H-indol-3-yl]quinazolin-6-yl]oxypropyl]morpholine (PubChem CID 164610194) has the molecular formula C36H34N4O3 and a molecular weight of 570.69 g/mol. Its IUPAC name is 4-[3-[7-methoxy-4-[2-(4-phenylphenyl)-1H-indol-3-yl]quinazolin-6-yl]oxypropyl]morpholine.

Molecular Properties

• Compound Name: 4-[3-[7-methoxy-4-[2-(4-phenylphenyl)-1H-indol-3-yl]quinazolin-6-yl]oxypropyl]morpholine
• PubChem CID: 164610194
• Molecular Formula: C36H34N4O3
• Molecular Weight: 570.69 g/mol
• Exact Mass: 570.26
• IUPAC Name: 4-[3-[7-methoxy-4-[2-(4-phenylphenyl)-1H-indol-3-yl]quinazolin-6-yl]oxypropyl]morpholine
• SMILES: COc1cc2ncnc(-c3c(-c4ccc(-c5ccccc5)cc4)[nH]c4ccccc34)c2cc1OCCCN1CCOCC1
• InChI: InChI=1S/C36H34N4O3/c1-41-32-23-31-29(22-33(32)43-19-7-16-40-17-20-42-21-18-40)36(38-24-37-31)34-28-10-5-6-11-30(28)39-35(34)27-14-12-26(13-15-27)25-8-3-2-4-9-25/h2-6,8-15,22-24,39H,7,16-21H2,1H3
• InChIKey: SUCRTPHJHAAZMI-UHFFFAOYSA-N
• XLogP: 7.22
• TPSA: 72.50 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	570.69
LogP ≤ 5	7.22
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[3-[7-methoxy-4-[2-(4-phenylphenyl)-1H-indol-3-yl]quinazolin-6-yl]oxypropyl]morpholine?

The IUPAC name of 4-[3-[7-methoxy-4-[2-(4-phenylphenyl)-1H-indol-3-yl]quinazolin-6-yl]oxypropyl]morpholine (CID 164610194) is 4-[3-[7-methoxy-4-[2-(4-phenylphenyl)-1H-indol-3-yl]quinazolin-6-yl]oxypropyl]morpholine.

What is the SMILES notation for 4-[3-[7-methoxy-4-[2-(4-phenylphenyl)-1H-indol-3-yl]quinazolin-6-yl]oxypropyl]morpholine?

The canonical SMILES for 4-[3-[7-methoxy-4-[2-(4-phenylphenyl)-1H-indol-3-yl]quinazolin-6-yl]oxypropyl]morpholine is COc1cc2ncnc(-c3c(-c4ccc(-c5ccccc5)cc4)[nH]c4ccccc34)c2cc1OCCCN1CCOCC1.

What is the InChIKey of 4-[3-[7-methoxy-4-[2-(4-phenylphenyl)-1H-indol-3-yl]quinazolin-6-yl]oxypropyl]morpholine?

The InChIKey is SUCRTPHJHAAZMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H34N4O3/c1-41-32-23-31-29(22-33(32)43-19-7-16-40-17-20-42-21-18-40)36(38-24-37-31)34-28-10-5-6-11-30(28)39-35(34)27-14-12-26(13-15-27)25-8-3-2-4-9-25/h2-6,8-15,22-24,39H,7,16-21H2,1H3.

What are the key properties of 4-[3-[7-methoxy-4-[2-(4-phenylphenyl)-1H-indol-3-yl]quinazolin-6-yl]oxypropyl]morpholine?

4-[3-[7-methoxy-4-[2-(4-phenylphenyl)-1H-indol-3-yl]quinazolin-6-yl]oxypropyl]morpholine has a molecular weight of 570.69 g/mol, XLogP of 7.22, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-[7-methoxy-4-[2-(4-phenylphenyl)-1H-indol-3-yl]quinazolin-6-yl]oxypropyl]morpholine is sourced from PubChem (CID 164610194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).