1-[7-[2-[4-(dipropylamino)-6-(3-methylphenyl)quinazolin-2-yl]oxyethoxy]-6-(3-methylphenyl)-4-morpholin-4-ylquinazolin-2-yl]oxy-2-methylpropan-2-ol

C46H54N6O5 — CID 143340831

About 1-[7-[2-[4-(dipropylamino)-6-(3-methylphenyl)quinazolin-2-yl]oxyethoxy]-6-(3-methylphenyl)-4-morpholin-4-ylquinazolin-2-yl]oxy-2-methylpropan-2-ol

1-[7-[2-[4-(dipropylamino)-6-(3-methylphenyl)quinazolin-2-yl]oxyethoxy]-6-(3-methylphenyl)-4-morpholin-4-ylquinazolin-2-yl]oxy-2-methylpropan-2-ol (PubChem CID 143340831) has the molecular formula C46H54N6O5 and a molecular weight of 770.98 g/mol. Its IUPAC name is 1-[7-[2-[4-(dipropylamino)-6-(3-methylphenyl)quinazolin-2-yl]oxyethoxy]-6-(3-methylphenyl)-4-morpholin-4-ylquinazolin-2-yl]oxy-2-methylpropan-2-ol.

Molecular Properties

• Compound Name: 1-[7-[2-[4-(dipropylamino)-6-(3-methylphenyl)quinazolin-2-yl]oxyethoxy]-6-(3-methylphenyl)-4-morpholin-4-ylquinazolin-2-yl]oxy-2-methylpropan-2-ol
• PubChem CID: 143340831
• Molecular Formula: C46H54N6O5
• Molecular Weight: 770.98 g/mol
• Exact Mass: 770.42
• IUPAC Name: 1-[7-[2-[4-(dipropylamino)-6-(3-methylphenyl)quinazolin-2-yl]oxyethoxy]-6-(3-methylphenyl)-4-morpholin-4-ylquinazolin-2-yl]oxy-2-methylpropan-2-ol
• SMILES: CCCN(CCC)c1nc(OCCOc2cc3nc(OCC(C)(C)O)nc(N4CCOCC4)c3cc2-c2cccc(C)c2)nc2ccc(-c3cccc(C)c3)cc12
• InChI: InChI=1S/C46H54N6O5/c1-7-17-51(18-8-2)42-37-27-34(33-13-9-11-31(3)25-33)15-16-39(37)47-44(49-42)56-24-23-55-41-29-40-38(28-36(41)35-14-10-12-32(4)26-35)43(52-19-21-54-22-20-52)50-45(48-40)57-30-46(5,6)53/h9-16,25-29,53H,7-8,17-24,30H2,1-6H3
• InChIKey: OYOZBLRXICABSH-UHFFFAOYSA-N
• XLogP: 8.59
• TPSA: 115.19 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 16
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	770.98
LogP ≤ 5	8.59
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[7-[2-[4-(dipropylamino)-6-(3-methylphenyl)quinazolin-2-yl]oxyethoxy]-6-(3-methylphenyl)-4-morpholin-4-ylquinazolin-2-yl]oxy-2-methylpropan-2-ol?

The IUPAC name of 1-[7-[2-[4-(dipropylamino)-6-(3-methylphenyl)quinazolin-2-yl]oxyethoxy]-6-(3-methylphenyl)-4-morpholin-4-ylquinazolin-2-yl]oxy-2-methylpropan-2-ol (CID 143340831) is 1-[7-[2-[4-(dipropylamino)-6-(3-methylphenyl)quinazolin-2-yl]oxyethoxy]-6-(3-methylphenyl)-4-morpholin-4-ylquinazolin-2-yl]oxy-2-methylpropan-2-ol.

What is the SMILES notation for 1-[7-[2-[4-(dipropylamino)-6-(3-methylphenyl)quinazolin-2-yl]oxyethoxy]-6-(3-methylphenyl)-4-morpholin-4-ylquinazolin-2-yl]oxy-2-methylpropan-2-ol?

The canonical SMILES for 1-[7-[2-[4-(dipropylamino)-6-(3-methylphenyl)quinazolin-2-yl]oxyethoxy]-6-(3-methylphenyl)-4-morpholin-4-ylquinazolin-2-yl]oxy-2-methylpropan-2-ol is CCCN(CCC)c1nc(OCCOc2cc3nc(OCC(C)(C)O)nc(N4CCOCC4)c3cc2-c2cccc(C)c2)nc2ccc(-c3cccc(C)c3)cc12.

What is the InChIKey of 1-[7-[2-[4-(dipropylamino)-6-(3-methylphenyl)quinazolin-2-yl]oxyethoxy]-6-(3-methylphenyl)-4-morpholin-4-ylquinazolin-2-yl]oxy-2-methylpropan-2-ol?

The InChIKey is OYOZBLRXICABSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H54N6O5/c1-7-17-51(18-8-2)42-37-27-34(33-13-9-11-31(3)25-33)15-16-39(37)47-44(49-42)56-24-23-55-41-29-40-38(28-36(41)35-14-10-12-32(4)26-35)43(52-19-21-54-22-20-52)50-45(48-40)57-30-46(5,6)53/h9-16,25-29,53H,7-8,17-24,30H2,1-6H3.

What are the key properties of 1-[7-[2-[4-(dipropylamino)-6-(3-methylphenyl)quinazolin-2-yl]oxyethoxy]-6-(3-methylphenyl)-4-morpholin-4-ylquinazolin-2-yl]oxy-2-methylpropan-2-ol?

1-[7-[2-[4-(dipropylamino)-6-(3-methylphenyl)quinazolin-2-yl]oxyethoxy]-6-(3-methylphenyl)-4-morpholin-4-ylquinazolin-2-yl]oxy-2-methylpropan-2-ol has a molecular weight of 770.98 g/mol, XLogP of 8.59, 16 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[7-[2-[4-(dipropylamino)-6-(3-methylphenyl)quinazolin-2-yl]oxyethoxy]-6-(3-methylphenyl)-4-morpholin-4-ylquinazolin-2-yl]oxy-2-methylpropan-2-ol is sourced from PubChem (CID 143340831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).