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
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC3-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
SMILESCOc1cc(=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
InChIInChI=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)
InChIKeyHCNQKRBYLHCAAZ-UHFFFAOYSA-N
MW2459.41 g/mol
LogP30.33
Rot. Bonds15
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).
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Sources
- PubChem CID 158438629 — identifiers, structure, computed properties (public domain)
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