2-[1-amino-5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-8-yl]oxyethanol;4-[2-[[4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,7-naphthyridin-1-yl]oxy]ethyl]morpholine;4-[2-[[4-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,7-naphthyridin-1-yl]oxy]ethyl]morpholine

C81H66ClF3N14O6 — CID 159146253

About 2-[1-amino-5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-8-yl]oxyethanol;4-[2-[[4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,7-naphthyridin-1-yl]oxy]ethyl]morpholine;4-[2-[[4-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,7-naphthyridin-1-yl]oxy]ethyl]morpholine

2-[1-amino-5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-8-yl]oxyethanol;4-[2-[[4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,7-naphthyridin-1-yl]oxy]ethyl]morpholine;4-[2-[[4-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,7-naphthyridin-1-yl]oxy]ethyl]morpholine (PubChem CID 159146253) has the molecular formula C81H66ClF3N14O6 and a molecular weight of 1423.96 g/mol. Its IUPAC name is 2-[1-amino-5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-8-yl]oxyethanol;4-[2-[[4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,7-naphthyridin-1-yl]oxy]ethyl]morpholine;4-[2-[[4-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,7-naphthyridin-1-yl]oxy]ethyl]morpholine.

Molecular Properties

• Compound Name: 2-[1-amino-5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-8-yl]oxyethanol;4-[2-[[4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,7-naphthyridin-1-yl]oxy]ethyl]morpholine;4-[2-[[4-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,7-naphthyridin-1-yl]oxy]ethyl]morpholine
• PubChem CID: 159146253
• Molecular Formula: C81H66ClF3N14O6
• Molecular Weight: 1423.96 g/mol
• Exact Mass: 1422.49
• IUPAC Name: 2-[1-amino-5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-8-yl]oxyethanol;4-[2-[[4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,7-naphthyridin-1-yl]oxy]ethyl]morpholine;4-[2-[[4-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,7-naphthyridin-1-yl]oxy]ethyl]morpholine
• SMILES: Fc1ccc(Cl)cc1-c1cc(-c2cnc(OCCN3CCOCC3)c3cnccc23)c2cccnc2n1.Fc1ccccc1-c1cc(-c2cnc(OCCN3CCOCC3)c3cnccc23)c2cccnc2n1.Nc1nccc2c(-c3cc(-c4ccccc4F)nc4ncccc34)ccc(OCCO)c12
• InChI: InChI=1S/C28H23ClFN5O2.C28H24FN5O2.C25H19FN4O2/c29-18-3-4-25(30)22(14-18)26-15-21(20-2-1-6-32-27(20)34-26)23-17-33-28(24-16-31-7-5-19(23)24)37-13-10-35-8-11-36-12-9-35;29-25-6-2-1-4-21(25)26-16-22(20-5-3-8-31-27(20)33-26)23-18-32-28(24-17-30-9-7-19(23)24)36-15-12-34-10-13-35-14-11-34;26-20-6-2-1-4-18(20)21-14-19(17-5-3-10-29-25(17)30-21)15-7-8-22(32-13-12-31)23-16(15)9-11-28-24(23)27/h1-7,14-17H,8-13H2;1-9,16-18H,10-15H2;1-11,14,31H,12-13H2,(H2,27,28)
• InChIKey: KISIFYKRRPPGLQ-UHFFFAOYSA-N
• XLogP: 14.77
• TPSA: 240.67 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 20
• Rotatable Bonds: 17
• Heavy Atoms: 105
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1423.96
LogP ≤ 5	14.77
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of 2-[1-amino-5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-8-yl]oxyethanol;4-[2-[[4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,7-naphthyridin-1-yl]oxy]ethyl]morpholine;4-[2-[[4-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,7-naphthyridin-1-yl]oxy]ethyl]morpholine?

The IUPAC name of 2-[1-amino-5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-8-yl]oxyethanol;4-[2-[[4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,7-naphthyridin-1-yl]oxy]ethyl]morpholine;4-[2-[[4-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,7-naphthyridin-1-yl]oxy]ethyl]morpholine (CID 159146253) is 2-[1-amino-5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-8-yl]oxyethanol;4-[2-[[4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,7-naphthyridin-1-yl]oxy]ethyl]morpholine;4-[2-[[4-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,7-naphthyridin-1-yl]oxy]ethyl]morpholine.

What is the SMILES notation for 2-[1-amino-5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-8-yl]oxyethanol;4-[2-[[4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,7-naphthyridin-1-yl]oxy]ethyl]morpholine;4-[2-[[4-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,7-naphthyridin-1-yl]oxy]ethyl]morpholine?

The canonical SMILES for 2-[1-amino-5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-8-yl]oxyethanol;4-[2-[[4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,7-naphthyridin-1-yl]oxy]ethyl]morpholine;4-[2-[[4-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,7-naphthyridin-1-yl]oxy]ethyl]morpholine is Fc1ccc(Cl)cc1-c1cc(-c2cnc(OCCN3CCOCC3)c3cnccc23)c2cccnc2n1.Fc1ccccc1-c1cc(-c2cnc(OCCN3CCOCC3)c3cnccc23)c2cccnc2n1.Nc1nccc2c(-c3cc(-c4ccccc4F)nc4ncccc34)ccc(OCCO)c12.

What is the InChIKey of 2-[1-amino-5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-8-yl]oxyethanol;4-[2-[[4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,7-naphthyridin-1-yl]oxy]ethyl]morpholine;4-[2-[[4-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,7-naphthyridin-1-yl]oxy]ethyl]morpholine?

The InChIKey is KISIFYKRRPPGLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23ClFN5O2.C28H24FN5O2.C25H19FN4O2/c29-18-3-4-25(30)22(14-18)26-15-21(20-2-1-6-32-27(20)34-26)23-17-33-28(24-16-31-7-5-19(23)24)37-13-10-35-8-11-36-12-9-35;29-25-6-2-1-4-21(25)26-16-22(20-5-3-8-31-27(20)33-26)23-18-32-28(24-17-30-9-7-19(23)24)36-15-12-34-10-13-35-14-11-34;26-20-6-2-1-4-18(20)21-14-19(17-5-3-10-29-25(17)30-21)15-7-8-22(32-13-12-31)23-16(15)9-11-28-24(23)27/h1-7,14-17H,8-13H2;1-9,16-18H,10-15H2;1-11,14,31H,12-13H2,(H2,27,28).

What are the key properties of 2-[1-amino-5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-8-yl]oxyethanol;4-[2-[[4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,7-naphthyridin-1-yl]oxy]ethyl]morpholine;4-[2-[[4-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,7-naphthyridin-1-yl]oxy]ethyl]morpholine?

2-[1-amino-5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-8-yl]oxyethanol;4-[2-[[4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,7-naphthyridin-1-yl]oxy]ethyl]morpholine;4-[2-[[4-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,7-naphthyridin-1-yl]oxy]ethyl]morpholine has a molecular weight of 1423.96 g/mol, XLogP of 14.77, 17 rotatable bonds, 2 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-amino-5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-8-yl]oxyethanol;4-[2-[[4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,7-naphthyridin-1-yl]oxy]ethyl]morpholine;4-[2-[[4-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,7-naphthyridin-1-yl]oxy]ethyl]morpholine is sourced from PubChem (CID 159146253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).