4-[4-[9-methoxy-2-(4-morpholin-4-ylphenyl)benzo[h]chromen-2-yl]phenyl]morpholine

C34H34N2O4 — CID 22624741

About 4-[4-[9-methoxy-2-(4-morpholin-4-ylphenyl)benzo[h]chromen-2-yl]phenyl]morpholine

4-[4-[9-methoxy-2-(4-morpholin-4-ylphenyl)benzo[h]chromen-2-yl]phenyl]morpholine (PubChem CID 22624741) has the molecular formula C34H34N2O4 and a molecular weight of 534.66 g/mol. Its IUPAC name is 4-[4-[9-methoxy-2-(4-morpholin-4-ylphenyl)benzo[h]chromen-2-yl]phenyl]morpholine.

Molecular Properties

• Compound Name: 4-[4-[9-methoxy-2-(4-morpholin-4-ylphenyl)benzo[h]chromen-2-yl]phenyl]morpholine
• PubChem CID: 22624741
• Molecular Formula: C34H34N2O4
• Molecular Weight: 534.66 g/mol
• Exact Mass: 534.25
• IUPAC Name: 4-[4-[9-methoxy-2-(4-morpholin-4-ylphenyl)benzo[h]chromen-2-yl]phenyl]morpholine
• SMILES: COc1ccc2ccc3c(c2c1)OC(c1ccc(N2CCOCC2)cc1)(c1ccc(N2CCOCC2)cc1)C=C3
• InChI: InChI=1S/C34H34N2O4/c1-37-31-13-4-25-2-3-26-14-15-34(40-33(26)32(25)24-31,27-5-9-29(10-6-27)35-16-20-38-21-17-35)28-7-11-30(12-8-28)36-18-22-39-23-19-36/h2-15,24H,16-23H2,1H3
• InChIKey: CGNYSCIZLGXFAS-UHFFFAOYSA-N
• XLogP: 5.87
• TPSA: 43.40 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	534.66
LogP ≤ 5	5.87
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_F(14)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[4-[9-methoxy-2-(4-morpholin-4-ylphenyl)benzo[h]chromen-2-yl]phenyl]morpholine?

The IUPAC name of 4-[4-[9-methoxy-2-(4-morpholin-4-ylphenyl)benzo[h]chromen-2-yl]phenyl]morpholine (CID 22624741) is 4-[4-[9-methoxy-2-(4-morpholin-4-ylphenyl)benzo[h]chromen-2-yl]phenyl]morpholine.

What is the SMILES notation for 4-[4-[9-methoxy-2-(4-morpholin-4-ylphenyl)benzo[h]chromen-2-yl]phenyl]morpholine?

The canonical SMILES for 4-[4-[9-methoxy-2-(4-morpholin-4-ylphenyl)benzo[h]chromen-2-yl]phenyl]morpholine is COc1ccc2ccc3c(c2c1)OC(c1ccc(N2CCOCC2)cc1)(c1ccc(N2CCOCC2)cc1)C=C3.

What is the InChIKey of 4-[4-[9-methoxy-2-(4-morpholin-4-ylphenyl)benzo[h]chromen-2-yl]phenyl]morpholine?

The InChIKey is CGNYSCIZLGXFAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H34N2O4/c1-37-31-13-4-25-2-3-26-14-15-34(40-33(26)32(25)24-31,27-5-9-29(10-6-27)35-16-20-38-21-17-35)28-7-11-30(12-8-28)36-18-22-39-23-19-36/h2-15,24H,16-23H2,1H3.

What are the key properties of 4-[4-[9-methoxy-2-(4-morpholin-4-ylphenyl)benzo[h]chromen-2-yl]phenyl]morpholine?

4-[4-[9-methoxy-2-(4-morpholin-4-ylphenyl)benzo[h]chromen-2-yl]phenyl]morpholine has a molecular weight of 534.66 g/mol, XLogP of 5.87, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-[9-methoxy-2-(4-morpholin-4-ylphenyl)benzo[h]chromen-2-yl]phenyl]morpholine is sourced from PubChem (CID 22624741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).