1-[(5-bromo-2-pyridinyl)methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxyquinolin-2-one;tert-butyl 3,5-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole-1-carboxylate;6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[[5-(3,5-dimethyl-1H-pyrazol-4-yl)-2-pyridinyl]methyl]-7-methoxyquinolin-2-one

C63H70BBrN10O10 — CID 161197583

About 1-[(5-bromo-2-pyridinyl)methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxyquinolin-2-one;tert-butyl 3,5-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole-1-carboxylate;6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[[5-(3,5-dimethyl-1H-pyrazol-4-yl)-2-pyridinyl]methyl]-7-methoxyquinolin-2-one

1-[(5-bromo-2-pyridinyl)methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxyquinolin-2-one;tert-butyl 3,5-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole-1-carboxylate;6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[[5-(3,5-dimethyl-1H-pyrazol-4-yl)-2-pyridinyl]methyl]-7-methoxyquinolin-2-one (PubChem CID 161197583) has the molecular formula C63H70BBrN10O10 and a molecular weight of 1218.03 g/mol. Its IUPAC name is 1-[(5-bromo-2-pyridinyl)methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxyquinolin-2-one;tert-butyl 3,5-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole-1-carboxylate;6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[[5-(3,5-dimethyl-1H-pyrazol-4-yl)-2-pyridinyl]methyl]-7-methoxyquinolin-2-one.

Molecular Properties

• Compound Name: 1-[(5-bromo-2-pyridinyl)methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxyquinolin-2-one;tert-butyl 3,5-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole-1-carboxylate;6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[[5-(3,5-dimethyl-1H-pyrazol-4-yl)-2-pyridinyl]methyl]-7-methoxyquinolin-2-one
• PubChem CID: 161197583
• Molecular Formula: C63H70BBrN10O10
• Molecular Weight: 1218.03 g/mol
• Exact Mass: 1216.46
• IUPAC Name: 1-[(5-bromo-2-pyridinyl)methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxyquinolin-2-one;tert-butyl 3,5-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole-1-carboxylate;6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[[5-(3,5-dimethyl-1H-pyrazol-4-yl)-2-pyridinyl]methyl]-7-methoxyquinolin-2-one
• SMILES: COc1cc2c(ccc(=O)n2Cc2ccc(-c3c(C)n[nH]c3C)cn2)cc1-c1c(C)noc1C.COc1cc2c(ccc(=O)n2Cc2ccc(Br)cn2)cc1-c1c(C)noc1C.Cc1nn(C(=O)OC(C)(C)C)c(C)c1B1OC(C)(C)C(C)(C)O1
• InChI: InChI=1S/C26H25N5O3.C21H18BrN3O3.C16H27BN2O4/c1-14-25(15(2)29-28-14)19-6-8-20(27-12-19)13-31-22-11-23(33-5)21(10-18(22)7-9-24(31)32)26-16(3)30-34-17(26)4;1-12-21(13(2)28-24-12)17-8-14-4-7-20(26)25(18(14)9-19(17)27-3)11-16-6-5-15(22)10-23-16;1-10-12(17-22-15(6,7)16(8,9)23-17)11(2)19(18-10)13(20)21-14(3,4)5/h6-12H,13H2,1-5H3,(H,28,29);4-10H,11H2,1-3H3;1-9H3
• InChIKey: UUNZXAGQSUFVAX-UHFFFAOYSA-N
• XLogP: 11.80
• TPSA: 231.56 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 19
• Rotatable Bonds: 10
• Heavy Atoms: 85
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1218.03
LogP ≤ 5	11.80
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromo-2-pyridinyl)methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxyquinolin-2-one;tert-butyl 3,5-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole-1-carboxylate;6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[[5-(3,5-dimethyl-1H-pyrazol-4-yl)-2-pyridinyl]methyl]-7-methoxyquinolin-2-one?

The IUPAC name of 1-[(5-bromo-2-pyridinyl)methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxyquinolin-2-one;tert-butyl 3,5-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole-1-carboxylate;6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[[5-(3,5-dimethyl-1H-pyrazol-4-yl)-2-pyridinyl]methyl]-7-methoxyquinolin-2-one (CID 161197583) is 1-[(5-bromo-2-pyridinyl)methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxyquinolin-2-one;tert-butyl 3,5-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole-1-carboxylate;6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[[5-(3,5-dimethyl-1H-pyrazol-4-yl)-2-pyridinyl]methyl]-7-methoxyquinolin-2-one.

What is the SMILES notation for 1-[(5-bromo-2-pyridinyl)methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxyquinolin-2-one;tert-butyl 3,5-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole-1-carboxylate;6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[[5-(3,5-dimethyl-1H-pyrazol-4-yl)-2-pyridinyl]methyl]-7-methoxyquinolin-2-one?

The canonical SMILES for 1-[(5-bromo-2-pyridinyl)methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxyquinolin-2-one;tert-butyl 3,5-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole-1-carboxylate;6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[[5-(3,5-dimethyl-1H-pyrazol-4-yl)-2-pyridinyl]methyl]-7-methoxyquinolin-2-one is COc1cc2c(ccc(=O)n2Cc2ccc(-c3c(C)n[nH]c3C)cn2)cc1-c1c(C)noc1C.COc1cc2c(ccc(=O)n2Cc2ccc(Br)cn2)cc1-c1c(C)noc1C.Cc1nn(C(=O)OC(C)(C)C)c(C)c1B1OC(C)(C)C(C)(C)O1.

What is the InChIKey of 1-[(5-bromo-2-pyridinyl)methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxyquinolin-2-one;tert-butyl 3,5-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole-1-carboxylate;6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[[5-(3,5-dimethyl-1H-pyrazol-4-yl)-2-pyridinyl]methyl]-7-methoxyquinolin-2-one?

The InChIKey is UUNZXAGQSUFVAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5O3.C21H18BrN3O3.C16H27BN2O4/c1-14-25(15(2)29-28-14)19-6-8-20(27-12-19)13-31-22-11-23(33-5)21(10-18(22)7-9-24(31)32)26-16(3)30-34-17(26)4;1-12-21(13(2)28-24-12)17-8-14-4-7-20(26)25(18(14)9-19(17)27-3)11-16-6-5-15(22)10-23-16;1-10-12(17-22-15(6,7)16(8,9)23-17)11(2)19(18-10)13(20)21-14(3,4)5/h6-12H,13H2,1-5H3,(H,28,29);4-10H,11H2,1-3H3;1-9H3.

What are the key properties of 1-[(5-bromo-2-pyridinyl)methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxyquinolin-2-one;tert-butyl 3,5-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole-1-carboxylate;6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[[5-(3,5-dimethyl-1H-pyrazol-4-yl)-2-pyridinyl]methyl]-7-methoxyquinolin-2-one?

1-[(5-bromo-2-pyridinyl)methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxyquinolin-2-one;tert-butyl 3,5-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole-1-carboxylate;6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[[5-(3,5-dimethyl-1H-pyrazol-4-yl)-2-pyridinyl]methyl]-7-methoxyquinolin-2-one has a molecular weight of 1218.03 g/mol, XLogP of 11.80, 10 rotatable bonds, 1 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(5-bromo-2-pyridinyl)methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxyquinolin-2-one;tert-butyl 3,5-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole-1-carboxylate;6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[[5-(3,5-dimethyl-1H-pyrazol-4-yl)-2-pyridinyl]methyl]-7-methoxyquinolin-2-one is sourced from PubChem (CID 161197583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).