2-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-8-yl]oxy-N,N-diethylethanamine;N-[5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-6-yl]acetamide;5-[2-(5-methylfuran-2-yl)-1,8-naphthyridin-4-yl]-2,6-naphthyridin-1-amine;5-(2-phenyl-1,8-naphthyridin-4-yl)-2,6-naphthyridin-1-amine

C97H73ClF2N18O3 — CID 158330330

About 2-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-8-yl]oxy-N,N-diethylethanamine;N-[5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-6-yl]acetamide;5-[2-(5-methylfuran-2-yl)-1,8-naphthyridin-4-yl]-2,6-naphthyridin-1-amine;5-(2-phenyl-1,8-naphthyridin-4-yl)-2,6-naphthyridin-1-amine

2-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-8-yl]oxy-N,N-diethylethanamine;N-[5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-6-yl]acetamide;5-[2-(5-methylfuran-2-yl)-1,8-naphthyridin-4-yl]-2,6-naphthyridin-1-amine;5-(2-phenyl-1,8-naphthyridin-4-yl)-2,6-naphthyridin-1-amine (PubChem CID 158330330) has the molecular formula C97H73ClF2N18O3 and a molecular weight of 1612.22 g/mol. Its IUPAC name is 2-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-8-yl]oxy-N,N-diethylethanamine;N-[5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-6-yl]acetamide;5-[2-(5-methylfuran-2-yl)-1,8-naphthyridin-4-yl]-2,6-naphthyridin-1-amine;5-(2-phenyl-1,8-naphthyridin-4-yl)-2,6-naphthyridin-1-amine.

Molecular Properties

• Compound Name: 2-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-8-yl]oxy-N,N-diethylethanamine;N-[5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-6-yl]acetamide;5-[2-(5-methylfuran-2-yl)-1,8-naphthyridin-4-yl]-2,6-naphthyridin-1-amine;5-(2-phenyl-1,8-naphthyridin-4-yl)-2,6-naphthyridin-1-amine
• PubChem CID: 158330330
• Molecular Formula: C97H73ClF2N18O3
• Molecular Weight: 1612.22 g/mol
• Exact Mass: 1610.58
• IUPAC Name: 2-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-8-yl]oxy-N,N-diethylethanamine;N-[5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-6-yl]acetamide;5-[2-(5-methylfuran-2-yl)-1,8-naphthyridin-4-yl]-2,6-naphthyridin-1-amine;5-(2-phenyl-1,8-naphthyridin-4-yl)-2,6-naphthyridin-1-amine
• SMILES: CC(=O)Nc1ccc2cnccc2c1-c1cc(-c2ccccc2F)nc2ncccc12.CCN(CC)CCOc1ccc(-c2cc(-c3cc(Cl)ccc3F)nc3ncccc23)c2ccncc12.Cc1ccc(-c2cc(-c3nccc4c(N)nccc34)c3cccnc3n2)o1.Nc1nccc2c(-c3cc(-c4ccccc4)nc4ncccc34)nccc12
• InChI: InChI=1S/C29H26ClFN4O.C25H17FN4O.C22H15N5.C21H15N5O/c1-3-35(4-2)14-15-36-28-10-8-20(21-11-13-32-18-25(21)28)23-17-27(24-16-19(30)7-9-26(24)31)34-29-22(23)6-5-12-33-29;1-15(31)29-22-9-8-16-14-27-12-10-17(16)24(22)20-13-23(19-5-2-3-7-21(19)26)30-25-18(20)6-4-11-28-25;23-21-16-9-11-24-20(15(16)8-12-25-21)18-13-19(14-5-2-1-3-6-14)27-22-17(18)7-4-10-26-22;1-12-4-5-18(27-12)17-11-16(15-3-2-8-25-21(15)26-17)19-13-6-10-24-20(22)14(13)7-9-23-19/h5-13,16-18H,3-4,14-15H2,1-2H3;2-14H,1H3,(H,29,31);1-13H,(H2,23,25);2-11H,1H3,(H2,22,24)
• InChIKey: GPXPZPVEASRJQC-UHFFFAOYSA-N
• XLogP: 21.51
• TPSA: 287.21 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 20
• Rotatable Bonds: 15
• Heavy Atoms: 121
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1612.22
LogP ≤ 5	21.51
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of 2-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-8-yl]oxy-N,N-diethylethanamine;N-[5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-6-yl]acetamide;5-[2-(5-methylfuran-2-yl)-1,8-naphthyridin-4-yl]-2,6-naphthyridin-1-amine;5-(2-phenyl-1,8-naphthyridin-4-yl)-2,6-naphthyridin-1-amine?

The IUPAC name of 2-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-8-yl]oxy-N,N-diethylethanamine;N-[5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-6-yl]acetamide;5-[2-(5-methylfuran-2-yl)-1,8-naphthyridin-4-yl]-2,6-naphthyridin-1-amine;5-(2-phenyl-1,8-naphthyridin-4-yl)-2,6-naphthyridin-1-amine (CID 158330330) is 2-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-8-yl]oxy-N,N-diethylethanamine;N-[5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-6-yl]acetamide;5-[2-(5-methylfuran-2-yl)-1,8-naphthyridin-4-yl]-2,6-naphthyridin-1-amine;5-(2-phenyl-1,8-naphthyridin-4-yl)-2,6-naphthyridin-1-amine.

What is the SMILES notation for 2-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-8-yl]oxy-N,N-diethylethanamine;N-[5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-6-yl]acetamide;5-[2-(5-methylfuran-2-yl)-1,8-naphthyridin-4-yl]-2,6-naphthyridin-1-amine;5-(2-phenyl-1,8-naphthyridin-4-yl)-2,6-naphthyridin-1-amine?

The canonical SMILES for 2-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-8-yl]oxy-N,N-diethylethanamine;N-[5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-6-yl]acetamide;5-[2-(5-methylfuran-2-yl)-1,8-naphthyridin-4-yl]-2,6-naphthyridin-1-amine;5-(2-phenyl-1,8-naphthyridin-4-yl)-2,6-naphthyridin-1-amine is CC(=O)Nc1ccc2cnccc2c1-c1cc(-c2ccccc2F)nc2ncccc12.CCN(CC)CCOc1ccc(-c2cc(-c3cc(Cl)ccc3F)nc3ncccc23)c2ccncc12.Cc1ccc(-c2cc(-c3nccc4c(N)nccc34)c3cccnc3n2)o1.Nc1nccc2c(-c3cc(-c4ccccc4)nc4ncccc34)nccc12.

What is the InChIKey of 2-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-8-yl]oxy-N,N-diethylethanamine;N-[5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-6-yl]acetamide;5-[2-(5-methylfuran-2-yl)-1,8-naphthyridin-4-yl]-2,6-naphthyridin-1-amine;5-(2-phenyl-1,8-naphthyridin-4-yl)-2,6-naphthyridin-1-amine?

The InChIKey is GPXPZPVEASRJQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26ClFN4O.C25H17FN4O.C22H15N5.C21H15N5O/c1-3-35(4-2)14-15-36-28-10-8-20(21-11-13-32-18-25(21)28)23-17-27(24-16-19(30)7-9-26(24)31)34-29-22(23)6-5-12-33-29;1-15(31)29-22-9-8-16-14-27-12-10-17(16)24(22)20-13-23(19-5-2-3-7-21(19)26)30-25-18(20)6-4-11-28-25;23-21-16-9-11-24-20(15(16)8-12-25-21)18-13-19(14-5-2-1-3-6-14)27-22-17(18)7-4-10-26-22;1-12-4-5-18(27-12)17-11-16(15-3-2-8-25-21(15)26-17)19-13-6-10-24-20(22)14(13)7-9-23-19/h5-13,16-18H,3-4,14-15H2,1-2H3;2-14H,1H3,(H,29,31);1-13H,(H2,23,25);2-11H,1H3,(H2,22,24).

What are the key properties of 2-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-8-yl]oxy-N,N-diethylethanamine;N-[5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-6-yl]acetamide;5-[2-(5-methylfuran-2-yl)-1,8-naphthyridin-4-yl]-2,6-naphthyridin-1-amine;5-(2-phenyl-1,8-naphthyridin-4-yl)-2,6-naphthyridin-1-amine?

2-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-8-yl]oxy-N,N-diethylethanamine;N-[5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-6-yl]acetamide;5-[2-(5-methylfuran-2-yl)-1,8-naphthyridin-4-yl]-2,6-naphthyridin-1-amine;5-(2-phenyl-1,8-naphthyridin-4-yl)-2,6-naphthyridin-1-amine has a molecular weight of 1612.22 g/mol, XLogP of 21.51, 15 rotatable bonds, 3 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-8-yl]oxy-N,N-diethylethanamine;N-[5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-6-yl]acetamide;5-[2-(5-methylfuran-2-yl)-1,8-naphthyridin-4-yl]-2,6-naphthyridin-1-amine;5-(2-phenyl-1,8-naphthyridin-4-yl)-2,6-naphthyridin-1-amine is sourced from PubChem (CID 158330330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).