4-N-[2-[(7-chloroquinolin-4-yl)amino]ethyl]-6-[2-[1-[4-[[4-[2-[(7-chloroquinolin-4-yl)amino]ethylamino]-6-[2-[5-[[4-[2-[(7-chloroquinolin-4-yl)amino]ethylamino]-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]-2-fluorophenyl]morpholin-4-yl]-1,3,5-triazin-2-yl]amino]phenyl]ethyl]morpholin-4-yl]-2-N-phenyl-1,3,5-triazine-2,4-diamine

C74H74Cl3FN24O3 — CID 130269476

About 4-N-[2-[(7-chloroquinolin-4-yl)amino]ethyl]-6-[2-[1-[4-[[4-[2-[(7-chloroquinolin-4-yl)amino]ethylamino]-6-[2-[5-[[4-[2-[(7-chloroquinolin-4-yl)amino]ethylamino]-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]-2-fluorophenyl]morpholin-4-yl]-1,3,5-triazin-2-yl]amino]phenyl]ethyl]morpholin-4-yl]-2-N-phenyl-1,3,5-triazine-2,4-diamine

4-N-[2-[(7-chloroquinolin-4-yl)amino]ethyl]-6-[2-[1-[4-[[4-[2-[(7-chloroquinolin-4-yl)amino]ethylamino]-6-[2-[5-[[4-[2-[(7-chloroquinolin-4-yl)amino]ethylamino]-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]-2-fluorophenyl]morpholin-4-yl]-1,3,5-triazin-2-yl]amino]phenyl]ethyl]morpholin-4-yl]-2-N-phenyl-1,3,5-triazine-2,4-diamine (PubChem CID 130269476) has the molecular formula C74H74Cl3FN24O3 and a molecular weight of 1472.93 g/mol. Its IUPAC name is 4-N-[2-[(7-chloroquinolin-4-yl)amino]ethyl]-6-[2-[1-[4-[[4-[2-[(7-chloroquinolin-4-yl)amino]ethylamino]-6-[2-[5-[[4-[2-[(7-chloroquinolin-4-yl)amino]ethylamino]-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]-2-fluorophenyl]morpholin-4-yl]-1,3,5-triazin-2-yl]amino]phenyl]ethyl]morpholin-4-yl]-2-N-phenyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

• Compound Name: 4-N-[2-[(7-chloroquinolin-4-yl)amino]ethyl]-6-[2-[1-[4-[[4-[2-[(7-chloroquinolin-4-yl)amino]ethylamino]-6-[2-[5-[[4-[2-[(7-chloroquinolin-4-yl)amino]ethylamino]-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]-2-fluorophenyl]morpholin-4-yl]-1,3,5-triazin-2-yl]amino]phenyl]ethyl]morpholin-4-yl]-2-N-phenyl-1,3,5-triazine-2,4-diamine
• PubChem CID: 130269476
• Molecular Formula: C74H74Cl3FN24O3
• Molecular Weight: 1472.93 g/mol
• Exact Mass: 1470.54
• IUPAC Name: 4-N-[2-[(7-chloroquinolin-4-yl)amino]ethyl]-6-[2-[1-[4-[[4-[2-[(7-chloroquinolin-4-yl)amino]ethylamino]-6-[2-[5-[[4-[2-[(7-chloroquinolin-4-yl)amino]ethylamino]-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]-2-fluorophenyl]morpholin-4-yl]-1,3,5-triazin-2-yl]amino]phenyl]ethyl]morpholin-4-yl]-2-N-phenyl-1,3,5-triazine-2,4-diamine
• SMILES: CC(c1ccc(Nc2nc(NCCNc3ccnc4cc(Cl)ccc34)nc(N3CCOC(c4cc(Nc5nc(NCCNc6ccnc7cc(Cl)ccc67)nc(N6CCOCC6)n5)ccc4F)C3)n2)cc1)C1CN(c2nc(NCCNc3ccnc4cc(Cl)ccc34)nc(Nc3ccccc3)n2)CCO1
• InChI: InChI=1S/C74H74Cl3FN24O3/c1-45(64-43-101(33-37-104-64)73-95-67(91-69(98-73)88-50-5-3-2-4-6-50)86-29-26-83-59-20-23-80-62-40-48(76)10-16-54(59)62)46-7-12-51(13-8-46)89-70-92-68(87-30-27-84-60-21-24-81-63-41-49(77)11-17-55(60)63)96-74(99-70)102-34-38-105-65(44-102)56-42-52(14-18-57(56)78)90-71-93-66(94-72(97-71)100-31-35-103-36-32-100)85-28-25-82-58-19-22-79-61-39-47(75)9-15-53(58)61/h2-24,39-42,45,64-65H,25-38,43-44H2,1H3,(H,79,82)(H,80,83)(H,81,84)(H2,85,90,93,94,97)(H2,86,88,91,95,98)(H2,87,89,92,96,99)
• InChIKey: OYPDYOIFXOQWBP-UHFFFAOYSA-N
• XLogP: 13.21
• TPSA: 300.36 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 27
• Rotatable Bonds: 27
• Heavy Atoms: 105
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1472.93
LogP ≤ 5	13.21
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-[(7-chloroquinolin-4-yl)amino]ethyl]-6-[2-[1-[4-[[4-[2-[(7-chloroquinolin-4-yl)amino]ethylamino]-6-[2-[5-[[4-[2-[(7-chloroquinolin-4-yl)amino]ethylamino]-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]-2-fluorophenyl]morpholin-4-yl]-1,3,5-triazin-2-yl]amino]phenyl]ethyl]morpholin-4-yl]-2-N-phenyl-1,3,5-triazine-2,4-diamine?

The IUPAC name of 4-N-[2-[(7-chloroquinolin-4-yl)amino]ethyl]-6-[2-[1-[4-[[4-[2-[(7-chloroquinolin-4-yl)amino]ethylamino]-6-[2-[5-[[4-[2-[(7-chloroquinolin-4-yl)amino]ethylamino]-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]-2-fluorophenyl]morpholin-4-yl]-1,3,5-triazin-2-yl]amino]phenyl]ethyl]morpholin-4-yl]-2-N-phenyl-1,3,5-triazine-2,4-diamine (CID 130269476) is 4-N-[2-[(7-chloroquinolin-4-yl)amino]ethyl]-6-[2-[1-[4-[[4-[2-[(7-chloroquinolin-4-yl)amino]ethylamino]-6-[2-[5-[[4-[2-[(7-chloroquinolin-4-yl)amino]ethylamino]-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]-2-fluorophenyl]morpholin-4-yl]-1,3,5-triazin-2-yl]amino]phenyl]ethyl]morpholin-4-yl]-2-N-phenyl-1,3,5-triazine-2,4-diamine.

What is the SMILES notation for 4-N-[2-[(7-chloroquinolin-4-yl)amino]ethyl]-6-[2-[1-[4-[[4-[2-[(7-chloroquinolin-4-yl)amino]ethylamino]-6-[2-[5-[[4-[2-[(7-chloroquinolin-4-yl)amino]ethylamino]-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]-2-fluorophenyl]morpholin-4-yl]-1,3,5-triazin-2-yl]amino]phenyl]ethyl]morpholin-4-yl]-2-N-phenyl-1,3,5-triazine-2,4-diamine?

The canonical SMILES for 4-N-[2-[(7-chloroquinolin-4-yl)amino]ethyl]-6-[2-[1-[4-[[4-[2-[(7-chloroquinolin-4-yl)amino]ethylamino]-6-[2-[5-[[4-[2-[(7-chloroquinolin-4-yl)amino]ethylamino]-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]-2-fluorophenyl]morpholin-4-yl]-1,3,5-triazin-2-yl]amino]phenyl]ethyl]morpholin-4-yl]-2-N-phenyl-1,3,5-triazine-2,4-diamine is CC(c1ccc(Nc2nc(NCCNc3ccnc4cc(Cl)ccc34)nc(N3CCOC(c4cc(Nc5nc(NCCNc6ccnc7cc(Cl)ccc67)nc(N6CCOCC6)n5)ccc4F)C3)n2)cc1)C1CN(c2nc(NCCNc3ccnc4cc(Cl)ccc34)nc(Nc3ccccc3)n2)CCO1.

What is the InChIKey of 4-N-[2-[(7-chloroquinolin-4-yl)amino]ethyl]-6-[2-[1-[4-[[4-[2-[(7-chloroquinolin-4-yl)amino]ethylamino]-6-[2-[5-[[4-[2-[(7-chloroquinolin-4-yl)amino]ethylamino]-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]-2-fluorophenyl]morpholin-4-yl]-1,3,5-triazin-2-yl]amino]phenyl]ethyl]morpholin-4-yl]-2-N-phenyl-1,3,5-triazine-2,4-diamine?

The InChIKey is OYPDYOIFXOQWBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H74Cl3FN24O3/c1-45(64-43-101(33-37-104-64)73-95-67(91-69(98-73)88-50-5-3-2-4-6-50)86-29-26-83-59-20-23-80-62-40-48(76)10-16-54(59)62)46-7-12-51(13-8-46)89-70-92-68(87-30-27-84-60-21-24-81-63-41-49(77)11-17-55(60)63)96-74(99-70)102-34-38-105-65(44-102)56-42-52(14-18-57(56)78)90-71-93-66(94-72(97-71)100-31-35-103-36-32-100)85-28-25-82-58-19-22-79-61-39-47(75)9-15-53(58)61/h2-24,39-42,45,64-65H,25-38,43-44H2,1H3,(H,79,82)(H,80,83)(H,81,84)(H2,85,90,93,94,97)(H2,86,88,91,95,98)(H2,87,89,92,96,99).

What are the key properties of 4-N-[2-[(7-chloroquinolin-4-yl)amino]ethyl]-6-[2-[1-[4-[[4-[2-[(7-chloroquinolin-4-yl)amino]ethylamino]-6-[2-[5-[[4-[2-[(7-chloroquinolin-4-yl)amino]ethylamino]-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]-2-fluorophenyl]morpholin-4-yl]-1,3,5-triazin-2-yl]amino]phenyl]ethyl]morpholin-4-yl]-2-N-phenyl-1,3,5-triazine-2,4-diamine?

4-N-[2-[(7-chloroquinolin-4-yl)amino]ethyl]-6-[2-[1-[4-[[4-[2-[(7-chloroquinolin-4-yl)amino]ethylamino]-6-[2-[5-[[4-[2-[(7-chloroquinolin-4-yl)amino]ethylamino]-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]-2-fluorophenyl]morpholin-4-yl]-1,3,5-triazin-2-yl]amino]phenyl]ethyl]morpholin-4-yl]-2-N-phenyl-1,3,5-triazine-2,4-diamine has a molecular weight of 1472.93 g/mol, XLogP of 13.21, 27 rotatable bonds, 9 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 4-N-[2-[(7-chloroquinolin-4-yl)amino]ethyl]-6-[2-[1-[4-[[4-[2-[(7-chloroquinolin-4-yl)amino]ethylamino]-6-[2-[5-[[4-[2-[(7-chloroquinolin-4-yl)amino]ethylamino]-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]-2-fluorophenyl]morpholin-4-yl]-1,3,5-triazin-2-yl]amino]phenyl]ethyl]morpholin-4-yl]-2-N-phenyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 130269476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).