3-bromo-7-(5-methylfuran-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one;3-bromo-7-(5-methylthiophen-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one;2-methoxy-7-(5-methylfuran-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one;2-methoxy-7-(2-methyl-1,3-thiazol-5-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one;2-methoxy-7-(5-methylthiophen-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one;7-(2-methyl-1,3-thiazol-5-yl)-4-oxo-6-quinolin-6-yl-1H-1,8-naphthyridine-2-carbonitrile

C134H91Br2N21O11S4 — CID 158438629

About 3-bromo-7-(5-methylfuran-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one;3-bromo-7-(5-methylthiophen-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one;2-methoxy-7-(5-methylfuran-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one;2-methoxy-7-(2-methyl-1,3-thiazol-5-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one;2-methoxy-7-(5-methylthiophen-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one;7-(2-methyl-1,3-thiazol-5-yl)-4-oxo-6-quinolin-6-yl-1H-1,8-naphthyridine-2-carbonitrile

3-bromo-7-(5-methylfuran-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one;3-bromo-7-(5-methylthiophen-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one;2-methoxy-7-(5-methylfuran-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one;2-methoxy-7-(2-methyl-1,3-thiazol-5-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one;2-methoxy-7-(5-methylthiophen-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one;7-(2-methyl-1,3-thiazol-5-yl)-4-oxo-6-quinolin-6-yl-1H-1,8-naphthyridine-2-carbonitrile (PubChem CID 158438629) has the molecular formula C134H91Br2N21O11S4 and a molecular weight of 2459.41 g/mol. Its IUPAC name is 3-bromo-7-(5-methylfuran-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one;3-bromo-7-(5-methylthiophen-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one;2-methoxy-7-(5-methylfuran-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one;2-methoxy-7-(2-methyl-1,3-thiazol-5-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one;2-methoxy-7-(5-methylthiophen-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one;7-(2-methyl-1,3-thiazol-5-yl)-4-oxo-6-quinolin-6-yl-1H-1,8-naphthyridine-2-carbonitrile.

Molecular Properties

• Compound Name: 3-bromo-7-(5-methylfuran-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one;3-bromo-7-(5-methylthiophen-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one;2-methoxy-7-(5-methylfuran-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one;2-methoxy-7-(2-methyl-1,3-thiazol-5-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one;2-methoxy-7-(5-methylthiophen-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one;7-(2-methyl-1,3-thiazol-5-yl)-4-oxo-6-quinolin-6-yl-1H-1,8-naphthyridine-2-carbonitrile
• PubChem CID: 158438629
• Molecular Formula: C134H91Br2N21O11S4
• Molecular Weight: 2459.41 g/mol
• Exact Mass: 2455.45
• IUPAC Name: 3-bromo-7-(5-methylfuran-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one;3-bromo-7-(5-methylthiophen-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one;2-methoxy-7-(5-methylfuran-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one;2-methoxy-7-(2-methyl-1,3-thiazol-5-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one;2-methoxy-7-(5-methylthiophen-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one;7-(2-methyl-1,3-thiazol-5-yl)-4-oxo-6-quinolin-6-yl-1H-1,8-naphthyridine-2-carbonitrile
• SMILES: COc1cc(=O)c2cc(-c3ccc4ncccc4c3)c(-c3ccc(C)o3)nc2[nH]1.COc1cc(=O)c2cc(-c3ccc4ncccc4c3)c(-c3ccc(C)s3)nc2[nH]1.COc1cc(=O)c2cc(-c3ccc4ncccc4c3)c(-c3cnc(C)s3)nc2[nH]1.Cc1ccc(-c2nc3[nH]c(=O)c(Br)cc3cc2-c2ccc3ncccc3c2)o1.Cc1ccc(-c2nc3[nH]c(=O)c(Br)cc3cc2-c2ccc3ncccc3c2)s1.Cc1ncc(-c2nc3[nH]c(C#N)cc(=O)c3cc2-c2ccc3ncccc3c2)s1
• InChI: InChI=1S/C23H17N3O3.C23H17N3O2S.C22H14BrN3O2.C22H14BrN3OS.C22H13N5OS.C22H16N4O2S/c2*1-13-5-8-20(29-13)22-16(14-6-7-18-15(10-14)4-3-9-24-18)11-17-19(27)12-21(28-2)25-23(17)26-22;2*1-12-4-7-19(28-12)20-16(10-15-11-17(23)22(27)26-21(15)25-20)13-5-6-18-14(9-13)3-2-8-24-18;1-12-25-11-20(29-12)21-16(13-4-5-18-14(7-13)3-2-6-24-18)9-17-19(28)8-15(10-23)26-22(17)27-21;1-12-24-11-19(29-12)21-15(13-5-6-17-14(8-13)4-3-7-23-17)9-16-18(27)10-20(28-2)25-22(16)26-21/h2*3-12H,1-2H3,(H,25,26,27);2*2-11H,1H3,(H,25,26,27);2-9,11H,1H3,(H,26,27,28);3-11H,1-2H3,(H,25,26,27)
• InChIKey: HCNQKRBYLHCAAZ-UHFFFAOYSA-N
• XLogP: 30.33
• TPSA: 455.38 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 30
• Rotatable Bonds: 15
• Heavy Atoms: 172
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2459.41
LogP ≤ 5	30.33
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	30

Frequently Asked Questions

What is the IUPAC name of 3-bromo-7-(5-methylfuran-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one;3-bromo-7-(5-methylthiophen-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one;2-methoxy-7-(5-methylfuran-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one;2-methoxy-7-(2-methyl-1,3-thiazol-5-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one;2-methoxy-7-(5-methylthiophen-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one;7-(2-methyl-1,3-thiazol-5-yl)-4-oxo-6-quinolin-6-yl-1H-1,8-naphthyridine-2-carbonitrile?

The IUPAC name of 3-bromo-7-(5-methylfuran-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one;3-bromo-7-(5-methylthiophen-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one;2-methoxy-7-(5-methylfuran-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one;2-methoxy-7-(2-methyl-1,3-thiazol-5-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one;2-methoxy-7-(5-methylthiophen-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one;7-(2-methyl-1,3-thiazol-5-yl)-4-oxo-6-quinolin-6-yl-1H-1,8-naphthyridine-2-carbonitrile (CID 158438629) is 3-bromo-7-(5-methylfuran-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one;3-bromo-7-(5-methylthiophen-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one;2-methoxy-7-(5-methylfuran-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one;2-methoxy-7-(2-methyl-1,3-thiazol-5-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one;2-methoxy-7-(5-methylthiophen-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one;7-(2-methyl-1,3-thiazol-5-yl)-4-oxo-6-quinolin-6-yl-1H-1,8-naphthyridine-2-carbonitrile.

What is the SMILES notation for 3-bromo-7-(5-methylfuran-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one;3-bromo-7-(5-methylthiophen-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one;2-methoxy-7-(5-methylfuran-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one;2-methoxy-7-(2-methyl-1,3-thiazol-5-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one;2-methoxy-7-(5-methylthiophen-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one;7-(2-methyl-1,3-thiazol-5-yl)-4-oxo-6-quinolin-6-yl-1H-1,8-naphthyridine-2-carbonitrile?

The canonical SMILES for 3-bromo-7-(5-methylfuran-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one;3-bromo-7-(5-methylthiophen-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one;2-methoxy-7-(5-methylfuran-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one;2-methoxy-7-(2-methyl-1,3-thiazol-5-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one;2-methoxy-7-(5-methylthiophen-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one;7-(2-methyl-1,3-thiazol-5-yl)-4-oxo-6-quinolin-6-yl-1H-1,8-naphthyridine-2-carbonitrile is COc1cc(=O)c2cc(-c3ccc4ncccc4c3)c(-c3ccc(C)o3)nc2[nH]1.COc1cc(=O)c2cc(-c3ccc4ncccc4c3)c(-c3ccc(C)s3)nc2[nH]1.COc1cc(=O)c2cc(-c3ccc4ncccc4c3)c(-c3cnc(C)s3)nc2[nH]1.Cc1ccc(-c2nc3[nH]c(=O)c(Br)cc3cc2-c2ccc3ncccc3c2)o1.Cc1ccc(-c2nc3[nH]c(=O)c(Br)cc3cc2-c2ccc3ncccc3c2)s1.Cc1ncc(-c2nc3[nH]c(C#N)cc(=O)c3cc2-c2ccc3ncccc3c2)s1.

What is the InChIKey of 3-bromo-7-(5-methylfuran-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one;3-bromo-7-(5-methylthiophen-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one;2-methoxy-7-(5-methylfuran-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one;2-methoxy-7-(2-methyl-1,3-thiazol-5-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one;2-methoxy-7-(5-methylthiophen-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one;7-(2-methyl-1,3-thiazol-5-yl)-4-oxo-6-quinolin-6-yl-1H-1,8-naphthyridine-2-carbonitrile?

The InChIKey is HCNQKRBYLHCAAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N3O3.C23H17N3O2S.C22H14BrN3O2.C22H14BrN3OS.C22H13N5OS.C22H16N4O2S/c2*1-13-5-8-20(29-13)22-16(14-6-7-18-15(10-14)4-3-9-24-18)11-17-19(27)12-21(28-2)25-23(17)26-22;2*1-12-4-7-19(28-12)20-16(10-15-11-17(23)22(27)26-21(15)25-20)13-5-6-18-14(9-13)3-2-8-24-18;1-12-25-11-20(29-12)21-16(13-4-5-18-14(7-13)3-2-6-24-18)9-17-19(28)8-15(10-23)26-22(17)27-21;1-12-24-11-19(29-12)21-15(13-5-6-17-14(8-13)4-3-7-23-17)9-16-18(27)10-20(28-2)25-22(16)26-21/h2*3-12H,1-2H3,(H,25,26,27);2*2-11H,1H3,(H,25,26,27);2-9,11H,1H3,(H,26,27,28);3-11H,1-2H3,(H,25,26,27).

What are the key properties of 3-bromo-7-(5-methylfuran-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one;3-bromo-7-(5-methylthiophen-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one;2-methoxy-7-(5-methylfuran-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one;2-methoxy-7-(2-methyl-1,3-thiazol-5-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one;2-methoxy-7-(5-methylthiophen-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one;7-(2-methyl-1,3-thiazol-5-yl)-4-oxo-6-quinolin-6-yl-1H-1,8-naphthyridine-2-carbonitrile?

3-bromo-7-(5-methylfuran-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one;3-bromo-7-(5-methylthiophen-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one;2-methoxy-7-(5-methylfuran-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one;2-methoxy-7-(2-methyl-1,3-thiazol-5-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one;2-methoxy-7-(5-methylthiophen-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one;7-(2-methyl-1,3-thiazol-5-yl)-4-oxo-6-quinolin-6-yl-1H-1,8-naphthyridine-2-carbonitrile has a molecular weight of 2459.41 g/mol, XLogP of 30.33, 15 rotatable bonds, 6 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 3-bromo-7-(5-methylfuran-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one;3-bromo-7-(5-methylthiophen-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one;2-methoxy-7-(5-methylfuran-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one;2-methoxy-7-(2-methyl-1,3-thiazol-5-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one;2-methoxy-7-(5-methylthiophen-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one;7-(2-methyl-1,3-thiazol-5-yl)-4-oxo-6-quinolin-6-yl-1H-1,8-naphthyridine-2-carbonitrile is sourced from PubChem (CID 158438629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).