7-(1,3-benzothiazol-2-yl)-6-(2-chloro-6-methyl-4-pyridinyl)-1H-1,8-naphthyridin-4-one;7-(1-benzothiophen-2-yl)-6-(2-chloro-6-methyl-4-pyridinyl)-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-7-(5-methylfuran-2-yl)-1H-1,8-naphthyridin-2-one;6-(2-chloro-6-methyl-4-pyridinyl)-7-(5-methylthiophen-2-yl)-1H-1,8-naphthyridin-2-one;6-(2-chloro-6-methyl-4-pyridinyl)-7-phenyl-1H-1,8-naphthyridin-2-one;6-(2-chloro-6-methyl-4-pyridinyl)-7-phenyl-1H-1,8-naphthyridin-4-one

C121H83Cl6N19O7S3 — CID 160578969

About 7-(1,3-benzothiazol-2-yl)-6-(2-chloro-6-methyl-4-pyridinyl)-1H-1,8-naphthyridin-4-one;7-(1-benzothiophen-2-yl)-6-(2-chloro-6-methyl-4-pyridinyl)-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-7-(5-methylfuran-2-yl)-1H-1,8-naphthyridin-2-one;6-(2-chloro-6-methyl-4-pyridinyl)-7-(5-methylthiophen-2-yl)-1H-1,8-naphthyridin-2-one;6-(2-chloro-6-methyl-4-pyridinyl)-7-phenyl-1H-1,8-naphthyridin-2-one;6-(2-chloro-6-methyl-4-pyridinyl)-7-phenyl-1H-1,8-naphthyridin-4-one

7-(1,3-benzothiazol-2-yl)-6-(2-chloro-6-methyl-4-pyridinyl)-1H-1,8-naphthyridin-4-one;7-(1-benzothiophen-2-yl)-6-(2-chloro-6-methyl-4-pyridinyl)-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-7-(5-methylfuran-2-yl)-1H-1,8-naphthyridin-2-one;6-(2-chloro-6-methyl-4-pyridinyl)-7-(5-methylthiophen-2-yl)-1H-1,8-naphthyridin-2-one;6-(2-chloro-6-methyl-4-pyridinyl)-7-phenyl-1H-1,8-naphthyridin-2-one;6-(2-chloro-6-methyl-4-pyridinyl)-7-phenyl-1H-1,8-naphthyridin-4-one (PubChem CID 160578969) has the molecular formula C121H83Cl6N19O7S3 and a molecular weight of 2224.04 g/mol. Its IUPAC name is 7-(1,3-benzothiazol-2-yl)-6-(2-chloro-6-methyl-4-pyridinyl)-1H-1,8-naphthyridin-4-one;7-(1-benzothiophen-2-yl)-6-(2-chloro-6-methyl-4-pyridinyl)-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-7-(5-methylfuran-2-yl)-1H-1,8-naphthyridin-2-one;6-(2-chloro-6-methyl-4-pyridinyl)-7-(5-methylthiophen-2-yl)-1H-1,8-naphthyridin-2-one;6-(2-chloro-6-methyl-4-pyridinyl)-7-phenyl-1H-1,8-naphthyridin-2-one;6-(2-chloro-6-methyl-4-pyridinyl)-7-phenyl-1H-1,8-naphthyridin-4-one.

Molecular Properties

• Compound Name: 7-(1,3-benzothiazol-2-yl)-6-(2-chloro-6-methyl-4-pyridinyl)-1H-1,8-naphthyridin-4-one;7-(1-benzothiophen-2-yl)-6-(2-chloro-6-methyl-4-pyridinyl)-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-7-(5-methylfuran-2-yl)-1H-1,8-naphthyridin-2-one;6-(2-chloro-6-methyl-4-pyridinyl)-7-(5-methylthiophen-2-yl)-1H-1,8-naphthyridin-2-one;6-(2-chloro-6-methyl-4-pyridinyl)-7-phenyl-1H-1,8-naphthyridin-2-one;6-(2-chloro-6-methyl-4-pyridinyl)-7-phenyl-1H-1,8-naphthyridin-4-one
• PubChem CID: 160578969
• Molecular Formula: C121H83Cl6N19O7S3
• Molecular Weight: 2224.04 g/mol
• Exact Mass: 2219.40
• IUPAC Name: 7-(1,3-benzothiazol-2-yl)-6-(2-chloro-6-methyl-4-pyridinyl)-1H-1,8-naphthyridin-4-one;7-(1-benzothiophen-2-yl)-6-(2-chloro-6-methyl-4-pyridinyl)-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-7-(5-methylfuran-2-yl)-1H-1,8-naphthyridin-2-one;6-(2-chloro-6-methyl-4-pyridinyl)-7-(5-methylthiophen-2-yl)-1H-1,8-naphthyridin-2-one;6-(2-chloro-6-methyl-4-pyridinyl)-7-phenyl-1H-1,8-naphthyridin-2-one;6-(2-chloro-6-methyl-4-pyridinyl)-7-phenyl-1H-1,8-naphthyridin-4-one
• SMILES: Cc1cc(-c2cc3c(=O)cc[nH]c3nc2-c2cc3ccccc3s2)cc(Cl)n1.Cc1cc(-c2cc3c(=O)cc[nH]c3nc2-c2ccccc2)cc(Cl)n1.Cc1cc(-c2cc3c(=O)cc[nH]c3nc2-c2nc3ccccc3s2)cc(Cl)n1.Cc1cc(-c2cc3ccc(=O)[nH]c3nc2-c2ccc(C)o2)cc(Cl)n1.Cc1cc(-c2cc3ccc(=O)[nH]c3nc2-c2ccc(C)s2)cc(Cl)n1.Cc1cc(-c2cc3ccc(=O)[nH]c3nc2-c2ccccc2)cc(Cl)n1
• InChI: InChI=1S/C22H14ClN3OS.C21H13ClN4OS.2C20H14ClN3O.C19H14ClN3O2.C19H14ClN3OS/c1-12-8-14(10-20(23)25-12)15-11-16-17(27)6-7-24-22(16)26-21(15)19-9-13-4-2-3-5-18(13)28-19;1-11-8-12(9-18(22)24-11)13-10-14-16(27)6-7-23-20(14)26-19(13)21-25-15-4-2-3-5-17(15)28-21;1-12-9-14(10-18(21)23-12)15-11-16-17(25)7-8-22-20(16)24-19(15)13-5-3-2-4-6-13;1-12-9-15(11-17(21)22-12)16-10-14-7-8-18(25)23-20(14)24-19(16)13-5-3-2-4-6-13;2*1-10-7-13(9-16(20)21-10)14-8-12-4-6-17(24)22-19(12)23-18(14)15-5-3-11(2)25-15/h2-11H,1H3,(H,24,26,27);2-10H,1H3,(H,23,26,27);2-11H,1H3,(H,22,24,25);2-11H,1H3,(H,23,24,25);2*3-9H,1-2H3,(H,22,23,24)
• InChIKey: RBNFJOFWRLOMBU-UHFFFAOYSA-N
• XLogP: 29.78
• TPSA: 377.87 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 23
• Rotatable Bonds: 12
• Heavy Atoms: 156
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2224.04
LogP ≤ 5	29.78
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of 7-(1,3-benzothiazol-2-yl)-6-(2-chloro-6-methyl-4-pyridinyl)-1H-1,8-naphthyridin-4-one;7-(1-benzothiophen-2-yl)-6-(2-chloro-6-methyl-4-pyridinyl)-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-7-(5-methylfuran-2-yl)-1H-1,8-naphthyridin-2-one;6-(2-chloro-6-methyl-4-pyridinyl)-7-(5-methylthiophen-2-yl)-1H-1,8-naphthyridin-2-one;6-(2-chloro-6-methyl-4-pyridinyl)-7-phenyl-1H-1,8-naphthyridin-2-one;6-(2-chloro-6-methyl-4-pyridinyl)-7-phenyl-1H-1,8-naphthyridin-4-one (CID 160578969) is 7-(1,3-benzothiazol-2-yl)-6-(2-chloro-6-methyl-4-pyridinyl)-1H-1,8-naphthyridin-4-one;7-(1-benzothiophen-2-yl)-6-(2-chloro-6-methyl-4-pyridinyl)-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-7-(5-methylfuran-2-yl)-1H-1,8-naphthyridin-2-one;6-(2-chloro-6-methyl-4-pyridinyl)-7-(5-methylthiophen-2-yl)-1H-1,8-naphthyridin-2-one;6-(2-chloro-6-methyl-4-pyridinyl)-7-phenyl-1H-1,8-naphthyridin-2-one;6-(2-chloro-6-methyl-4-pyridinyl)-7-phenyl-1H-1,8-naphthyridin-4-one.

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

The canonical SMILES for 7-(1,3-benzothiazol-2-yl)-6-(2-chloro-6-methyl-4-pyridinyl)-1H-1,8-naphthyridin-4-one;7-(1-benzothiophen-2-yl)-6-(2-chloro-6-methyl-4-pyridinyl)-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-7-(5-methylfuran-2-yl)-1H-1,8-naphthyridin-2-one;6-(2-chloro-6-methyl-4-pyridinyl)-7-(5-methylthiophen-2-yl)-1H-1,8-naphthyridin-2-one;6-(2-chloro-6-methyl-4-pyridinyl)-7-phenyl-1H-1,8-naphthyridin-2-one;6-(2-chloro-6-methyl-4-pyridinyl)-7-phenyl-1H-1,8-naphthyridin-4-one is Cc1cc(-c2cc3c(=O)cc[nH]c3nc2-c2cc3ccccc3s2)cc(Cl)n1.Cc1cc(-c2cc3c(=O)cc[nH]c3nc2-c2ccccc2)cc(Cl)n1.Cc1cc(-c2cc3c(=O)cc[nH]c3nc2-c2nc3ccccc3s2)cc(Cl)n1.Cc1cc(-c2cc3ccc(=O)[nH]c3nc2-c2ccc(C)o2)cc(Cl)n1.Cc1cc(-c2cc3ccc(=O)[nH]c3nc2-c2ccc(C)s2)cc(Cl)n1.Cc1cc(-c2cc3ccc(=O)[nH]c3nc2-c2ccccc2)cc(Cl)n1.

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

The InChIKey is RBNFJOFWRLOMBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14ClN3OS.C21H13ClN4OS.2C20H14ClN3O.C19H14ClN3O2.C19H14ClN3OS/c1-12-8-14(10-20(23)25-12)15-11-16-17(27)6-7-24-22(16)26-21(15)19-9-13-4-2-3-5-18(13)28-19;1-11-8-12(9-18(22)24-11)13-10-14-16(27)6-7-23-20(14)26-19(13)21-25-15-4-2-3-5-17(15)28-21;1-12-9-14(10-18(21)23-12)15-11-16-17(25)7-8-22-20(16)24-19(15)13-5-3-2-4-6-13;1-12-9-15(11-17(21)22-12)16-10-14-7-8-18(25)23-20(14)24-19(16)13-5-3-2-4-6-13;2*1-10-7-13(9-16(20)21-10)14-8-12-4-6-17(24)22-19(12)23-18(14)15-5-3-11(2)25-15/h2-11H,1H3,(H,24,26,27);2-10H,1H3,(H,23,26,27);2-11H,1H3,(H,22,24,25);2-11H,1H3,(H,23,24,25);2*3-9H,1-2H3,(H,22,23,24).

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

7-(1,3-benzothiazol-2-yl)-6-(2-chloro-6-methyl-4-pyridinyl)-1H-1,8-naphthyridin-4-one;7-(1-benzothiophen-2-yl)-6-(2-chloro-6-methyl-4-pyridinyl)-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-7-(5-methylfuran-2-yl)-1H-1,8-naphthyridin-2-one;6-(2-chloro-6-methyl-4-pyridinyl)-7-(5-methylthiophen-2-yl)-1H-1,8-naphthyridin-2-one;6-(2-chloro-6-methyl-4-pyridinyl)-7-phenyl-1H-1,8-naphthyridin-2-one;6-(2-chloro-6-methyl-4-pyridinyl)-7-phenyl-1H-1,8-naphthyridin-4-one has a molecular weight of 2224.04 g/mol, XLogP of 29.78, 12 rotatable bonds, 6 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(1,3-benzothiazol-2-yl)-6-(2-chloro-6-methyl-4-pyridinyl)-1H-1,8-naphthyridin-4-one;7-(1-benzothiophen-2-yl)-6-(2-chloro-6-methyl-4-pyridinyl)-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-7-(5-methylfuran-2-yl)-1H-1,8-naphthyridin-2-one;6-(2-chloro-6-methyl-4-pyridinyl)-7-(5-methylthiophen-2-yl)-1H-1,8-naphthyridin-2-one;6-(2-chloro-6-methyl-4-pyridinyl)-7-phenyl-1H-1,8-naphthyridin-2-one;6-(2-chloro-6-methyl-4-pyridinyl)-7-phenyl-1H-1,8-naphthyridin-4-one is sourced from PubChem (CID 160578969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).