[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]boronic acid;4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2-(2-morpholin-4-ylethyl)-2,7-naphthyridin-1-one;4-[2-[[4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,7-naphthyridin-1-yl]oxy]ethyl]morpholine;4-iodo-2-(2-morpholin-4-ylethyl)-2,7-naphthyridin-1-one;4-iodo-2H-2,7-naphthyridin-1-one;4-[2-[(4-iodo-2,7-naphthyridin-1-yl)oxy]ethyl]morpholine;2-morpholin-4-ylethanol;oxolane

C116H113BCl3F3I3N21O14 — CID 157183279

About [2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]boronic acid;4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2-(2-morpholin-4-ylethyl)-2,7-naphthyridin-1-one;4-[2-[[4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,7-naphthyridin-1-yl]oxy]ethyl]morpholine;4-iodo-2-(2-morpholin-4-ylethyl)-2,7-naphthyridin-1-one;4-iodo-2H-2,7-naphthyridin-1-one;4-[2-[(4-iodo-2,7-naphthyridin-1-yl)oxy]ethyl]morpholine;2-morpholin-4-ylethanol;oxolane

[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]boronic acid;4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2-(2-morpholin-4-ylethyl)-2,7-naphthyridin-1-one;4-[2-[[4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,7-naphthyridin-1-yl]oxy]ethyl]morpholine;4-iodo-2-(2-morpholin-4-ylethyl)-2,7-naphthyridin-1-one;4-iodo-2H-2,7-naphthyridin-1-one;4-[2-[(4-iodo-2,7-naphthyridin-1-yl)oxy]ethyl]morpholine;2-morpholin-4-ylethanol;oxolane (PubChem CID 157183279) has the molecular formula C116H113BCl3F3I3N21O14 and a molecular weight of 2580.19 g/mol. Its IUPAC name is [2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]boronic acid;4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2-(2-morpholin-4-ylethyl)-2,7-naphthyridin-1-one;4-[2-[[4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,7-naphthyridin-1-yl]oxy]ethyl]morpholine;4-iodo-2-(2-morpholin-4-ylethyl)-2,7-naphthyridin-1-one;4-iodo-2H-2,7-naphthyridin-1-one;4-[2-[(4-iodo-2,7-naphthyridin-1-yl)oxy]ethyl]morpholine;2-morpholin-4-ylethanol;oxolane.

Molecular Properties

• Compound Name: [2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]boronic acid;4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2-(2-morpholin-4-ylethyl)-2,7-naphthyridin-1-one;4-[2-[[4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,7-naphthyridin-1-yl]oxy]ethyl]morpholine;4-iodo-2-(2-morpholin-4-ylethyl)-2,7-naphthyridin-1-one;4-iodo-2H-2,7-naphthyridin-1-one;4-[2-[(4-iodo-2,7-naphthyridin-1-yl)oxy]ethyl]morpholine;2-morpholin-4-ylethanol;oxolane
• PubChem CID: 157183279
• Molecular Formula: C116H113BCl3F3I3N21O14
• Molecular Weight: 2580.19 g/mol
• Exact Mass: 2577.50
• IUPAC Name: [2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]boronic acid;4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2-(2-morpholin-4-ylethyl)-2,7-naphthyridin-1-one;4-[2-[[4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,7-naphthyridin-1-yl]oxy]ethyl]morpholine;4-iodo-2-(2-morpholin-4-ylethyl)-2,7-naphthyridin-1-one;4-iodo-2H-2,7-naphthyridin-1-one;4-[2-[(4-iodo-2,7-naphthyridin-1-yl)oxy]ethyl]morpholine;2-morpholin-4-ylethanol;oxolane
• SMILES: C1CCOC1.Fc1ccc(Cl)cc1-c1cc(-c2cnc(OCCN3CCOCC3)c3cnccc23)c2cccnc2n1.Ic1cnc(OCCN2CCOCC2)c2cnccc12.O=c1[nH]cc(I)c2ccncc12.O=c1c2cnccc2c(-c2cc(-c3cc(Cl)ccc3F)nc3ncccc23)cn1CCN1CCOCC1.O=c1c2cnccc2c(I)cn1CCN1CCOCC1.OB(O)c1cc(-c2cc(Cl)ccc2F)nc2ncccc12.OCCN1CCOCC1
• InChI: InChI=1S/2C28H23ClFN5O2.C14H9BClFN2O2.2C14H16IN3O2.C8H5IN2O.C6H13NO2.C4H8O/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;29-18-3-4-25(30)22(14-18)26-15-21(20-2-1-6-32-27(20)33-26)24-17-35(9-8-34-10-12-37-13-11-34)28(36)23-16-31-7-5-19(23)24;16-8-3-4-12(17)10(6-8)13-7-11(15(20)21)9-2-1-5-18-14(9)19-13;15-13-10-17-14(12-9-16-2-1-11(12)13)20-8-5-18-3-6-19-7-4-18;15-13-10-18(4-3-17-5-7-20-8-6-17)14(19)12-9-16-2-1-11(12)13;9-7-4-11-8(12)6-3-10-2-1-5(6)7;8-4-1-7-2-5-9-6-3-7;1-2-4-5-3-1/h2*1-7,14-17H,8-13H2;1-7,20-21H;2*1-2,9-10H,3-8H2;1-4H,(H,11,12);8H,1-6H2;1-4H2
• InChIKey: AOUUADKNNWIIDZ-UHFFFAOYSA-N
• XLogP: 16.89
• TPSA: 395.16 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 34
• Rotatable Bonds: 22
• Heavy Atoms: 161
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2580.19
LogP ≤ 5	16.89
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]boronic acid;4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2-(2-morpholin-4-ylethyl)-2,7-naphthyridin-1-one;4-[2-[[4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,7-naphthyridin-1-yl]oxy]ethyl]morpholine;4-iodo-2-(2-morpholin-4-ylethyl)-2,7-naphthyridin-1-one;4-iodo-2H-2,7-naphthyridin-1-one;4-[2-[(4-iodo-2,7-naphthyridin-1-yl)oxy]ethyl]morpholine;2-morpholin-4-ylethanol;oxolane?

The IUPAC name of [2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]boronic acid;4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2-(2-morpholin-4-ylethyl)-2,7-naphthyridin-1-one;4-[2-[[4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,7-naphthyridin-1-yl]oxy]ethyl]morpholine;4-iodo-2-(2-morpholin-4-ylethyl)-2,7-naphthyridin-1-one;4-iodo-2H-2,7-naphthyridin-1-one;4-[2-[(4-iodo-2,7-naphthyridin-1-yl)oxy]ethyl]morpholine;2-morpholin-4-ylethanol;oxolane (CID 157183279) is [2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]boronic acid;4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2-(2-morpholin-4-ylethyl)-2,7-naphthyridin-1-one;4-[2-[[4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,7-naphthyridin-1-yl]oxy]ethyl]morpholine;4-iodo-2-(2-morpholin-4-ylethyl)-2,7-naphthyridin-1-one;4-iodo-2H-2,7-naphthyridin-1-one;4-[2-[(4-iodo-2,7-naphthyridin-1-yl)oxy]ethyl]morpholine;2-morpholin-4-ylethanol;oxolane.

What is the SMILES notation for [2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]boronic acid;4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2-(2-morpholin-4-ylethyl)-2,7-naphthyridin-1-one;4-[2-[[4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,7-naphthyridin-1-yl]oxy]ethyl]morpholine;4-iodo-2-(2-morpholin-4-ylethyl)-2,7-naphthyridin-1-one;4-iodo-2H-2,7-naphthyridin-1-one;4-[2-[(4-iodo-2,7-naphthyridin-1-yl)oxy]ethyl]morpholine;2-morpholin-4-ylethanol;oxolane?

The canonical SMILES for [2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]boronic acid;4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2-(2-morpholin-4-ylethyl)-2,7-naphthyridin-1-one;4-[2-[[4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,7-naphthyridin-1-yl]oxy]ethyl]morpholine;4-iodo-2-(2-morpholin-4-ylethyl)-2,7-naphthyridin-1-one;4-iodo-2H-2,7-naphthyridin-1-one;4-[2-[(4-iodo-2,7-naphthyridin-1-yl)oxy]ethyl]morpholine;2-morpholin-4-ylethanol;oxolane is C1CCOC1.Fc1ccc(Cl)cc1-c1cc(-c2cnc(OCCN3CCOCC3)c3cnccc23)c2cccnc2n1.Ic1cnc(OCCN2CCOCC2)c2cnccc12.O=c1[nH]cc(I)c2ccncc12.O=c1c2cnccc2c(-c2cc(-c3cc(Cl)ccc3F)nc3ncccc23)cn1CCN1CCOCC1.O=c1c2cnccc2c(I)cn1CCN1CCOCC1.OB(O)c1cc(-c2cc(Cl)ccc2F)nc2ncccc12.OCCN1CCOCC1.

What is the InChIKey of [2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]boronic acid;4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2-(2-morpholin-4-ylethyl)-2,7-naphthyridin-1-one;4-[2-[[4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,7-naphthyridin-1-yl]oxy]ethyl]morpholine;4-iodo-2-(2-morpholin-4-ylethyl)-2,7-naphthyridin-1-one;4-iodo-2H-2,7-naphthyridin-1-one;4-[2-[(4-iodo-2,7-naphthyridin-1-yl)oxy]ethyl]morpholine;2-morpholin-4-ylethanol;oxolane?

The InChIKey is AOUUADKNNWIIDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C28H23ClFN5O2.C14H9BClFN2O2.2C14H16IN3O2.C8H5IN2O.C6H13NO2.C4H8O/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;29-18-3-4-25(30)22(14-18)26-15-21(20-2-1-6-32-27(20)33-26)24-17-35(9-8-34-10-12-37-13-11-34)28(36)23-16-31-7-5-19(23)24;16-8-3-4-12(17)10(6-8)13-7-11(15(20)21)9-2-1-5-18-14(9)19-13;15-13-10-17-14(12-9-16-2-1-11(12)13)20-8-5-18-3-6-19-7-4-18;15-13-10-18(4-3-17-5-7-20-8-6-17)14(19)12-9-16-2-1-11(12)13;9-7-4-11-8(12)6-3-10-2-1-5(6)7;8-4-1-7-2-5-9-6-3-7;1-2-4-5-3-1/h2*1-7,14-17H,8-13H2;1-7,20-21H;2*1-2,9-10H,3-8H2;1-4H,(H,11,12);8H,1-6H2;1-4H2.

What are the key properties of [2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]boronic acid;4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2-(2-morpholin-4-ylethyl)-2,7-naphthyridin-1-one;4-[2-[[4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,7-naphthyridin-1-yl]oxy]ethyl]morpholine;4-iodo-2-(2-morpholin-4-ylethyl)-2,7-naphthyridin-1-one;4-iodo-2H-2,7-naphthyridin-1-one;4-[2-[(4-iodo-2,7-naphthyridin-1-yl)oxy]ethyl]morpholine;2-morpholin-4-ylethanol;oxolane?

[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]boronic acid;4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2-(2-morpholin-4-ylethyl)-2,7-naphthyridin-1-one;4-[2-[[4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,7-naphthyridin-1-yl]oxy]ethyl]morpholine;4-iodo-2-(2-morpholin-4-ylethyl)-2,7-naphthyridin-1-one;4-iodo-2H-2,7-naphthyridin-1-one;4-[2-[(4-iodo-2,7-naphthyridin-1-yl)oxy]ethyl]morpholine;2-morpholin-4-ylethanol;oxolane has a molecular weight of 2580.19 g/mol, XLogP of 16.89, 22 rotatable bonds, 4 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for [2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]boronic acid;4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2-(2-morpholin-4-ylethyl)-2,7-naphthyridin-1-one;4-[2-[[4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,7-naphthyridin-1-yl]oxy]ethyl]morpholine;4-iodo-2-(2-morpholin-4-ylethyl)-2,7-naphthyridin-1-one;4-iodo-2H-2,7-naphthyridin-1-one;4-[2-[(4-iodo-2,7-naphthyridin-1-yl)oxy]ethyl]morpholine;2-morpholin-4-ylethanol;oxolane is sourced from PubChem (CID 157183279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).