5-[[3-amino-6-methoxy-7-(5-morpholin-4-ylpentoxy)quinolin-4-yl]amino]-2,4-dichlorophenol

C25H30Cl2N4O4 — CID 71054222

About 5-[[3-amino-6-methoxy-7-(5-morpholin-4-ylpentoxy)quinolin-4-yl]amino]-2,4-dichlorophenol

5-[[3-amino-6-methoxy-7-(5-morpholin-4-ylpentoxy)quinolin-4-yl]amino]-2,4-dichlorophenol (PubChem CID 71054222) has the molecular formula C25H30Cl2N4O4 and a molecular weight of 521.45 g/mol. Its IUPAC name is 5-[[3-amino-6-methoxy-7-(5-morpholin-4-ylpentoxy)quinolin-4-yl]amino]-2,4-dichlorophenol.

Molecular Properties

• Compound Name: 5-[[3-amino-6-methoxy-7-(5-morpholin-4-ylpentoxy)quinolin-4-yl]amino]-2,4-dichlorophenol
• PubChem CID: 71054222
• Molecular Formula: C25H30Cl2N4O4
• Molecular Weight: 521.45 g/mol
• Exact Mass: 520.16
• IUPAC Name: 5-[[3-amino-6-methoxy-7-(5-morpholin-4-ylpentoxy)quinolin-4-yl]amino]-2,4-dichlorophenol
• SMILES: COc1cc2c(Nc3cc(O)c(Cl)cc3Cl)c(N)cnc2cc1OCCCCCN1CCOCC1
• InChI: InChI=1S/C25H30Cl2N4O4/c1-33-23-11-16-20(14-24(23)35-8-4-2-3-5-31-6-9-34-10-7-31)29-15-19(28)25(16)30-21-13-22(32)18(27)12-17(21)26/h11-15,32H,2-10,28H2,1H3,(H,29,30)
• InChIKey: DSTIHMXQCNDVIQ-UHFFFAOYSA-N
• XLogP: 5.46
• TPSA: 102.10 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	521.45
LogP ≤ 5	5.46
H-Bond Donors ≤ 5	3
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 5-[[3-amino-6-methoxy-7-(5-morpholin-4-ylpentoxy)quinolin-4-yl]amino]-2,4-dichlorophenol?

The IUPAC name of 5-[[3-amino-6-methoxy-7-(5-morpholin-4-ylpentoxy)quinolin-4-yl]amino]-2,4-dichlorophenol (CID 71054222) is 5-[[3-amino-6-methoxy-7-(5-morpholin-4-ylpentoxy)quinolin-4-yl]amino]-2,4-dichlorophenol.

What is the SMILES notation for 5-[[3-amino-6-methoxy-7-(5-morpholin-4-ylpentoxy)quinolin-4-yl]amino]-2,4-dichlorophenol?

The canonical SMILES for 5-[[3-amino-6-methoxy-7-(5-morpholin-4-ylpentoxy)quinolin-4-yl]amino]-2,4-dichlorophenol is COc1cc2c(Nc3cc(O)c(Cl)cc3Cl)c(N)cnc2cc1OCCCCCN1CCOCC1.

What is the InChIKey of 5-[[3-amino-6-methoxy-7-(5-morpholin-4-ylpentoxy)quinolin-4-yl]amino]-2,4-dichlorophenol?

The InChIKey is DSTIHMXQCNDVIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30Cl2N4O4/c1-33-23-11-16-20(14-24(23)35-8-4-2-3-5-31-6-9-34-10-7-31)29-15-19(28)25(16)30-21-13-22(32)18(27)12-17(21)26/h11-15,32H,2-10,28H2,1H3,(H,29,30).

What are the key properties of 5-[[3-amino-6-methoxy-7-(5-morpholin-4-ylpentoxy)quinolin-4-yl]amino]-2,4-dichlorophenol?

5-[[3-amino-6-methoxy-7-(5-morpholin-4-ylpentoxy)quinolin-4-yl]amino]-2,4-dichlorophenol has a molecular weight of 521.45 g/mol, XLogP of 5.46, 10 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[3-amino-6-methoxy-7-(5-morpholin-4-ylpentoxy)quinolin-4-yl]amino]-2,4-dichlorophenol is sourced from PubChem (CID 71054222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).