6-(1,3-benzoxazol-6-yl)-7-(5-methylfuran-2-yl)-1H-1,8-naphthyridin-4-one;6-(4-chloro-1,3-benzothiazol-6-yl)-7-(5-methylfuran-2-yl)-1H-1,8-naphthyridin-4-one;6-(4-chloro-1,3-benzothiazol-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;6-(4-chloro-1,3-benzothiazol-6-yl)-7-(3-methylpyrazol-1-yl)-1H-1,8-naphthyridin-4-one;6-(4-chloro-1,3-benzothiazol-6-yl)-7-(2-methyl-1,3-thiazol-5-yl)-1H-1,8-naphthyridin-4-one;6-(4-chloro-1,3-benzothiazol-6-yl)-7-(5-methylthiophen-2-yl)-1H-1,8-naphthyridin-4-one

C117H72Cl5N23O9S7 — CID 160833146

About 6-(1,3-benzoxazol-6-yl)-7-(5-methylfuran-2-yl)-1H-1,8-naphthyridin-4-one;6-(4-chloro-1,3-benzothiazol-6-yl)-7-(5-methylfuran-2-yl)-1H-1,8-naphthyridin-4-one;6-(4-chloro-1,3-benzothiazol-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;6-(4-chloro-1,3-benzothiazol-6-yl)-7-(3-methylpyrazol-1-yl)-1H-1,8-naphthyridin-4-one;6-(4-chloro-1,3-benzothiazol-6-yl)-7-(2-methyl-1,3-thiazol-5-yl)-1H-1,8-naphthyridin-4-one;6-(4-chloro-1,3-benzothiazol-6-yl)-7-(5-methylthiophen-2-yl)-1H-1,8-naphthyridin-4-one

6-(1,3-benzoxazol-6-yl)-7-(5-methylfuran-2-yl)-1H-1,8-naphthyridin-4-one;6-(4-chloro-1,3-benzothiazol-6-yl)-7-(5-methylfuran-2-yl)-1H-1,8-naphthyridin-4-one;6-(4-chloro-1,3-benzothiazol-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;6-(4-chloro-1,3-benzothiazol-6-yl)-7-(3-methylpyrazol-1-yl)-1H-1,8-naphthyridin-4-one;6-(4-chloro-1,3-benzothiazol-6-yl)-7-(2-methyl-1,3-thiazol-5-yl)-1H-1,8-naphthyridin-4-one;6-(4-chloro-1,3-benzothiazol-6-yl)-7-(5-methylthiophen-2-yl)-1H-1,8-naphthyridin-4-one (PubChem CID 160833146) has the molecular formula C117H72Cl5N23O9S7 and a molecular weight of 2345.75 g/mol. Its IUPAC name is 6-(1,3-benzoxazol-6-yl)-7-(5-methylfuran-2-yl)-1H-1,8-naphthyridin-4-one;6-(4-chloro-1,3-benzothiazol-6-yl)-7-(5-methylfuran-2-yl)-1H-1,8-naphthyridin-4-one;6-(4-chloro-1,3-benzothiazol-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;6-(4-chloro-1,3-benzothiazol-6-yl)-7-(3-methylpyrazol-1-yl)-1H-1,8-naphthyridin-4-one;6-(4-chloro-1,3-benzothiazol-6-yl)-7-(2-methyl-1,3-thiazol-5-yl)-1H-1,8-naphthyridin-4-one;6-(4-chloro-1,3-benzothiazol-6-yl)-7-(5-methylthiophen-2-yl)-1H-1,8-naphthyridin-4-one.

Molecular Properties

• Compound Name: 6-(1,3-benzoxazol-6-yl)-7-(5-methylfuran-2-yl)-1H-1,8-naphthyridin-4-one;6-(4-chloro-1,3-benzothiazol-6-yl)-7-(5-methylfuran-2-yl)-1H-1,8-naphthyridin-4-one;6-(4-chloro-1,3-benzothiazol-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;6-(4-chloro-1,3-benzothiazol-6-yl)-7-(3-methylpyrazol-1-yl)-1H-1,8-naphthyridin-4-one;6-(4-chloro-1,3-benzothiazol-6-yl)-7-(2-methyl-1,3-thiazol-5-yl)-1H-1,8-naphthyridin-4-one;6-(4-chloro-1,3-benzothiazol-6-yl)-7-(5-methylthiophen-2-yl)-1H-1,8-naphthyridin-4-one
• PubChem CID: 160833146
• Molecular Formula: C117H72Cl5N23O9S7
• Molecular Weight: 2345.75 g/mol
• Exact Mass: 2341.24
• IUPAC Name: 6-(1,3-benzoxazol-6-yl)-7-(5-methylfuran-2-yl)-1H-1,8-naphthyridin-4-one;6-(4-chloro-1,3-benzothiazol-6-yl)-7-(5-methylfuran-2-yl)-1H-1,8-naphthyridin-4-one;6-(4-chloro-1,3-benzothiazol-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;6-(4-chloro-1,3-benzothiazol-6-yl)-7-(3-methylpyrazol-1-yl)-1H-1,8-naphthyridin-4-one;6-(4-chloro-1,3-benzothiazol-6-yl)-7-(2-methyl-1,3-thiazol-5-yl)-1H-1,8-naphthyridin-4-one;6-(4-chloro-1,3-benzothiazol-6-yl)-7-(5-methylthiophen-2-yl)-1H-1,8-naphthyridin-4-one
• SMILES: Cc1ccc(-c2nc3[nH]ccc(=O)c3cc2-c2cc(Cl)c3ncsc3c2)o1.Cc1ccc(-c2nc3[nH]ccc(=O)c3cc2-c2cc(Cl)c3ncsc3c2)s1.Cc1ccc(-c2nc3[nH]ccc(=O)c3cc2-c2ccc3ncoc3c2)o1.Cc1ccn(-c2nc3[nH]ccc(=O)c3cc2-c2cc(Cl)c3ncsc3c2)n1.Cc1ncc(-c2nc3[nH]ccc(=O)c3cc2-c2cc(Cl)c3ncsc3c2)s1.Cn1ccc(-c2nc3[nH]ccc(=O)c3cc2-c2cc(Cl)c3ncsc3c2)n1
• InChI: InChI=1S/C20H12ClN3O2S.C20H12ClN3OS2.C20H13N3O3.2C19H12ClN5OS.C19H11ClN4OS2/c1-10-2-3-16(26-10)18-12(8-13-15(25)4-5-22-20(13)24-18)11-6-14(21)19-17(7-11)27-9-23-19;1-10-2-3-16(27-10)18-12(8-13-15(25)4-5-22-20(13)24-18)11-6-14(21)19-17(7-11)26-9-23-19;1-11-2-5-17(26-11)19-13(9-14-16(24)6-7-21-20(14)23-19)12-3-4-15-18(8-12)25-10-22-15;1-25-5-3-14(24-25)17-11(8-12-15(26)2-4-21-19(12)23-17)10-6-13(20)18-16(7-10)27-9-22-18;1-10-3-5-25(24-10)19-12(8-13-15(26)2-4-21-18(13)23-19)11-6-14(20)17-16(7-11)27-9-22-17;1-9-22-7-16(27-9)17-11(6-12-14(25)2-3-21-19(12)24-17)10-4-13(20)18-15(5-10)26-8-23-18/h2*2-9H,1H3,(H,22,24,25);2-10H,1H3,(H,21,23,24);2*2-9H,1H3,(H,21,23,26);2-8H,1H3,(H,21,24,25)
• InChIKey: SHBIMGWNVAZAHP-UHFFFAOYSA-N
• XLogP: 29.50
• TPSA: 439.79 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 33
• Rotatable Bonds: 12
• Heavy Atoms: 161
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2345.75
LogP ≤ 5	29.50
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	33

Frequently Asked Questions

What is the IUPAC name of 6-(1,3-benzoxazol-6-yl)-7-(5-methylfuran-2-yl)-1H-1,8-naphthyridin-4-one;6-(4-chloro-1,3-benzothiazol-6-yl)-7-(5-methylfuran-2-yl)-1H-1,8-naphthyridin-4-one;6-(4-chloro-1,3-benzothiazol-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;6-(4-chloro-1,3-benzothiazol-6-yl)-7-(3-methylpyrazol-1-yl)-1H-1,8-naphthyridin-4-one;6-(4-chloro-1,3-benzothiazol-6-yl)-7-(2-methyl-1,3-thiazol-5-yl)-1H-1,8-naphthyridin-4-one;6-(4-chloro-1,3-benzothiazol-6-yl)-7-(5-methylthiophen-2-yl)-1H-1,8-naphthyridin-4-one?

The IUPAC name of 6-(1,3-benzoxazol-6-yl)-7-(5-methylfuran-2-yl)-1H-1,8-naphthyridin-4-one;6-(4-chloro-1,3-benzothiazol-6-yl)-7-(5-methylfuran-2-yl)-1H-1,8-naphthyridin-4-one;6-(4-chloro-1,3-benzothiazol-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;6-(4-chloro-1,3-benzothiazol-6-yl)-7-(3-methylpyrazol-1-yl)-1H-1,8-naphthyridin-4-one;6-(4-chloro-1,3-benzothiazol-6-yl)-7-(2-methyl-1,3-thiazol-5-yl)-1H-1,8-naphthyridin-4-one;6-(4-chloro-1,3-benzothiazol-6-yl)-7-(5-methylthiophen-2-yl)-1H-1,8-naphthyridin-4-one (CID 160833146) is 6-(1,3-benzoxazol-6-yl)-7-(5-methylfuran-2-yl)-1H-1,8-naphthyridin-4-one;6-(4-chloro-1,3-benzothiazol-6-yl)-7-(5-methylfuran-2-yl)-1H-1,8-naphthyridin-4-one;6-(4-chloro-1,3-benzothiazol-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;6-(4-chloro-1,3-benzothiazol-6-yl)-7-(3-methylpyrazol-1-yl)-1H-1,8-naphthyridin-4-one;6-(4-chloro-1,3-benzothiazol-6-yl)-7-(2-methyl-1,3-thiazol-5-yl)-1H-1,8-naphthyridin-4-one;6-(4-chloro-1,3-benzothiazol-6-yl)-7-(5-methylthiophen-2-yl)-1H-1,8-naphthyridin-4-one.

What is the SMILES notation for 6-(1,3-benzoxazol-6-yl)-7-(5-methylfuran-2-yl)-1H-1,8-naphthyridin-4-one;6-(4-chloro-1,3-benzothiazol-6-yl)-7-(5-methylfuran-2-yl)-1H-1,8-naphthyridin-4-one;6-(4-chloro-1,3-benzothiazol-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;6-(4-chloro-1,3-benzothiazol-6-yl)-7-(3-methylpyrazol-1-yl)-1H-1,8-naphthyridin-4-one;6-(4-chloro-1,3-benzothiazol-6-yl)-7-(2-methyl-1,3-thiazol-5-yl)-1H-1,8-naphthyridin-4-one;6-(4-chloro-1,3-benzothiazol-6-yl)-7-(5-methylthiophen-2-yl)-1H-1,8-naphthyridin-4-one?

The canonical SMILES for 6-(1,3-benzoxazol-6-yl)-7-(5-methylfuran-2-yl)-1H-1,8-naphthyridin-4-one;6-(4-chloro-1,3-benzothiazol-6-yl)-7-(5-methylfuran-2-yl)-1H-1,8-naphthyridin-4-one;6-(4-chloro-1,3-benzothiazol-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;6-(4-chloro-1,3-benzothiazol-6-yl)-7-(3-methylpyrazol-1-yl)-1H-1,8-naphthyridin-4-one;6-(4-chloro-1,3-benzothiazol-6-yl)-7-(2-methyl-1,3-thiazol-5-yl)-1H-1,8-naphthyridin-4-one;6-(4-chloro-1,3-benzothiazol-6-yl)-7-(5-methylthiophen-2-yl)-1H-1,8-naphthyridin-4-one is Cc1ccc(-c2nc3[nH]ccc(=O)c3cc2-c2cc(Cl)c3ncsc3c2)o1.Cc1ccc(-c2nc3[nH]ccc(=O)c3cc2-c2cc(Cl)c3ncsc3c2)s1.Cc1ccc(-c2nc3[nH]ccc(=O)c3cc2-c2ccc3ncoc3c2)o1.Cc1ccn(-c2nc3[nH]ccc(=O)c3cc2-c2cc(Cl)c3ncsc3c2)n1.Cc1ncc(-c2nc3[nH]ccc(=O)c3cc2-c2cc(Cl)c3ncsc3c2)s1.Cn1ccc(-c2nc3[nH]ccc(=O)c3cc2-c2cc(Cl)c3ncsc3c2)n1.

What is the InChIKey of 6-(1,3-benzoxazol-6-yl)-7-(5-methylfuran-2-yl)-1H-1,8-naphthyridin-4-one;6-(4-chloro-1,3-benzothiazol-6-yl)-7-(5-methylfuran-2-yl)-1H-1,8-naphthyridin-4-one;6-(4-chloro-1,3-benzothiazol-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;6-(4-chloro-1,3-benzothiazol-6-yl)-7-(3-methylpyrazol-1-yl)-1H-1,8-naphthyridin-4-one;6-(4-chloro-1,3-benzothiazol-6-yl)-7-(2-methyl-1,3-thiazol-5-yl)-1H-1,8-naphthyridin-4-one;6-(4-chloro-1,3-benzothiazol-6-yl)-7-(5-methylthiophen-2-yl)-1H-1,8-naphthyridin-4-one?

The InChIKey is SHBIMGWNVAZAHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12ClN3O2S.C20H12ClN3OS2.C20H13N3O3.2C19H12ClN5OS.C19H11ClN4OS2/c1-10-2-3-16(26-10)18-12(8-13-15(25)4-5-22-20(13)24-18)11-6-14(21)19-17(7-11)27-9-23-19;1-10-2-3-16(27-10)18-12(8-13-15(25)4-5-22-20(13)24-18)11-6-14(21)19-17(7-11)26-9-23-19;1-11-2-5-17(26-11)19-13(9-14-16(24)6-7-21-20(14)23-19)12-3-4-15-18(8-12)25-10-22-15;1-25-5-3-14(24-25)17-11(8-12-15(26)2-4-21-19(12)23-17)10-6-13(20)18-16(7-10)27-9-22-18;1-10-3-5-25(24-10)19-12(8-13-15(26)2-4-21-18(13)23-19)11-6-14(20)17-16(7-11)27-9-22-17;1-9-22-7-16(27-9)17-11(6-12-14(25)2-3-21-19(12)24-17)10-4-13(20)18-15(5-10)26-8-23-18/h2*2-9H,1H3,(H,22,24,25);2-10H,1H3,(H,21,23,24);2*2-9H,1H3,(H,21,23,26);2-8H,1H3,(H,21,24,25).

What are the key properties of 6-(1,3-benzoxazol-6-yl)-7-(5-methylfuran-2-yl)-1H-1,8-naphthyridin-4-one;6-(4-chloro-1,3-benzothiazol-6-yl)-7-(5-methylfuran-2-yl)-1H-1,8-naphthyridin-4-one;6-(4-chloro-1,3-benzothiazol-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;6-(4-chloro-1,3-benzothiazol-6-yl)-7-(3-methylpyrazol-1-yl)-1H-1,8-naphthyridin-4-one;6-(4-chloro-1,3-benzothiazol-6-yl)-7-(2-methyl-1,3-thiazol-5-yl)-1H-1,8-naphthyridin-4-one;6-(4-chloro-1,3-benzothiazol-6-yl)-7-(5-methylthiophen-2-yl)-1H-1,8-naphthyridin-4-one?

6-(1,3-benzoxazol-6-yl)-7-(5-methylfuran-2-yl)-1H-1,8-naphthyridin-4-one;6-(4-chloro-1,3-benzothiazol-6-yl)-7-(5-methylfuran-2-yl)-1H-1,8-naphthyridin-4-one;6-(4-chloro-1,3-benzothiazol-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;6-(4-chloro-1,3-benzothiazol-6-yl)-7-(3-methylpyrazol-1-yl)-1H-1,8-naphthyridin-4-one;6-(4-chloro-1,3-benzothiazol-6-yl)-7-(2-methyl-1,3-thiazol-5-yl)-1H-1,8-naphthyridin-4-one;6-(4-chloro-1,3-benzothiazol-6-yl)-7-(5-methylthiophen-2-yl)-1H-1,8-naphthyridin-4-one has a molecular weight of 2345.75 g/mol, XLogP of 29.50, 12 rotatable bonds, 6 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(1,3-benzoxazol-6-yl)-7-(5-methylfuran-2-yl)-1H-1,8-naphthyridin-4-one;6-(4-chloro-1,3-benzothiazol-6-yl)-7-(5-methylfuran-2-yl)-1H-1,8-naphthyridin-4-one;6-(4-chloro-1,3-benzothiazol-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;6-(4-chloro-1,3-benzothiazol-6-yl)-7-(3-methylpyrazol-1-yl)-1H-1,8-naphthyridin-4-one;6-(4-chloro-1,3-benzothiazol-6-yl)-7-(2-methyl-1,3-thiazol-5-yl)-1H-1,8-naphthyridin-4-one;6-(4-chloro-1,3-benzothiazol-6-yl)-7-(5-methylthiophen-2-yl)-1H-1,8-naphthyridin-4-one is sourced from PubChem (CID 160833146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).