2-bromo-N-[5-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxy-2-pyridinyl]-1,3-thiazole-4-carboxamide

C26H26BrN5O5S — CID 150731485

About 2-bromo-N-[5-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxy-2-pyridinyl]-1,3-thiazole-4-carboxamide

2-bromo-N-[5-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxy-2-pyridinyl]-1,3-thiazole-4-carboxamide (PubChem CID 150731485) has the molecular formula C26H26BrN5O5S and a molecular weight of 600.50 g/mol. Its IUPAC name is 2-bromo-N-[5-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxy-2-pyridinyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

• Compound Name: 2-bromo-N-[5-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxy-2-pyridinyl]-1,3-thiazole-4-carboxamide
• PubChem CID: 150731485
• Molecular Formula: C26H26BrN5O5S
• Molecular Weight: 600.50 g/mol
• Exact Mass: 599.08
• IUPAC Name: 2-bromo-N-[5-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxy-2-pyridinyl]-1,3-thiazole-4-carboxamide
• SMILES: COc1cc2c(Oc3ccc(NC(=O)c4csc(Br)n4)nc3)ccnc2cc1OCCCN1CCOCC1
• InChI: InChI=1S/C26H26BrN5O5S/c1-34-22-13-18-19(14-23(22)36-10-2-7-32-8-11-35-12-9-32)28-6-5-21(18)37-17-3-4-24(29-15-17)31-25(33)20-16-38-26(27)30-20/h3-6,13-16H,2,7-12H2,1H3,(H,29,31,33)
• InChIKey: JRXYXVXHCFJRQG-UHFFFAOYSA-N
• XLogP: 5.00
• TPSA: 107.93 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	600.50
LogP ≤ 5	5.00
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[5-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxy-2-pyridinyl]-1,3-thiazole-4-carboxamide?

The IUPAC name of 2-bromo-N-[5-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxy-2-pyridinyl]-1,3-thiazole-4-carboxamide (CID 150731485) is 2-bromo-N-[5-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxy-2-pyridinyl]-1,3-thiazole-4-carboxamide.

What is the SMILES notation for 2-bromo-N-[5-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxy-2-pyridinyl]-1,3-thiazole-4-carboxamide?

The canonical SMILES for 2-bromo-N-[5-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxy-2-pyridinyl]-1,3-thiazole-4-carboxamide is COc1cc2c(Oc3ccc(NC(=O)c4csc(Br)n4)nc3)ccnc2cc1OCCCN1CCOCC1.

What is the InChIKey of 2-bromo-N-[5-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxy-2-pyridinyl]-1,3-thiazole-4-carboxamide?

The InChIKey is JRXYXVXHCFJRQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26BrN5O5S/c1-34-22-13-18-19(14-23(22)36-10-2-7-32-8-11-35-12-9-32)28-6-5-21(18)37-17-3-4-24(29-15-17)31-25(33)20-16-38-26(27)30-20/h3-6,13-16H,2,7-12H2,1H3,(H,29,31,33).

What are the key properties of 2-bromo-N-[5-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxy-2-pyridinyl]-1,3-thiazole-4-carboxamide?

2-bromo-N-[5-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxy-2-pyridinyl]-1,3-thiazole-4-carboxamide has a molecular weight of 600.50 g/mol, XLogP of 5.00, 10 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-bromo-N-[5-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxy-2-pyridinyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 150731485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).