N-(1,3-dimethylpyrazol-4-yl)-2-[2-methoxy-4-(7-methoxyquinolin-4-yl)oxyphenyl]acetamide;sulfuric acid

C24H26N4O8S — CID 67304696

About N-(1,3-dimethylpyrazol-4-yl)-2-[2-methoxy-4-(7-methoxyquinolin-4-yl)oxyphenyl]acetamide;sulfuric acid

N-(1,3-dimethylpyrazol-4-yl)-2-[2-methoxy-4-(7-methoxyquinolin-4-yl)oxyphenyl]acetamide;sulfuric acid (PubChem CID 67304696) has the molecular formula C24H26N4O8S and a molecular weight of 530.56 g/mol. Its IUPAC name is N-(1,3-dimethylpyrazol-4-yl)-2-[2-methoxy-4-(7-methoxyquinolin-4-yl)oxyphenyl]acetamide;sulfuric acid.

Molecular Properties

• Compound Name: N-(1,3-dimethylpyrazol-4-yl)-2-[2-methoxy-4-(7-methoxyquinolin-4-yl)oxyphenyl]acetamide;sulfuric acid
• PubChem CID: 67304696
• Molecular Formula: C24H26N4O8S
• Molecular Weight: 530.56 g/mol
• Exact Mass: 530.15
• IUPAC Name: N-(1,3-dimethylpyrazol-4-yl)-2-[2-methoxy-4-(7-methoxyquinolin-4-yl)oxyphenyl]acetamide;sulfuric acid
• SMILES: COc1ccc2c(Oc3ccc(CC(=O)Nc4cn(C)nc4C)c(OC)c3)ccnc2c1.O=S(=O)(O)O
• InChI: InChI=1S/C24H24N4O4.H2O4S/c1-15-21(14-28(2)27-15)26-24(29)11-16-5-6-18(13-23(16)31-4)32-22-9-10-25-20-12-17(30-3)7-8-19(20)22;1-5(2,3)4/h5-10,12-14H,11H2,1-4H3,(H,26,29);(H2,1,2,3,4)
• InChIKey: KBSBJZXYFDQQMQ-UHFFFAOYSA-N
• XLogP: 3.61
• TPSA: 162.10 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	530.56
LogP ≤ 5	3.61
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethylpyrazol-4-yl)-2-[2-methoxy-4-(7-methoxyquinolin-4-yl)oxyphenyl]acetamide;sulfuric acid?

The IUPAC name of N-(1,3-dimethylpyrazol-4-yl)-2-[2-methoxy-4-(7-methoxyquinolin-4-yl)oxyphenyl]acetamide;sulfuric acid (CID 67304696) is N-(1,3-dimethylpyrazol-4-yl)-2-[2-methoxy-4-(7-methoxyquinolin-4-yl)oxyphenyl]acetamide;sulfuric acid.

What is the SMILES notation for N-(1,3-dimethylpyrazol-4-yl)-2-[2-methoxy-4-(7-methoxyquinolin-4-yl)oxyphenyl]acetamide;sulfuric acid?

The canonical SMILES for N-(1,3-dimethylpyrazol-4-yl)-2-[2-methoxy-4-(7-methoxyquinolin-4-yl)oxyphenyl]acetamide;sulfuric acid is COc1ccc2c(Oc3ccc(CC(=O)Nc4cn(C)nc4C)c(OC)c3)ccnc2c1.O=S(=O)(O)O.

What is the InChIKey of N-(1,3-dimethylpyrazol-4-yl)-2-[2-methoxy-4-(7-methoxyquinolin-4-yl)oxyphenyl]acetamide;sulfuric acid?

The InChIKey is KBSBJZXYFDQQMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O4.H2O4S/c1-15-21(14-28(2)27-15)26-24(29)11-16-5-6-18(13-23(16)31-4)32-22-9-10-25-20-12-17(30-3)7-8-19(20)22;1-5(2,3)4/h5-10,12-14H,11H2,1-4H3,(H,26,29);(H2,1,2,3,4).

What are the key properties of N-(1,3-dimethylpyrazol-4-yl)-2-[2-methoxy-4-(7-methoxyquinolin-4-yl)oxyphenyl]acetamide;sulfuric acid?

N-(1,3-dimethylpyrazol-4-yl)-2-[2-methoxy-4-(7-methoxyquinolin-4-yl)oxyphenyl]acetamide;sulfuric acid has a molecular weight of 530.56 g/mol, XLogP of 3.61, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1,3-dimethylpyrazol-4-yl)-2-[2-methoxy-4-(7-methoxyquinolin-4-yl)oxyphenyl]acetamide;sulfuric acid is sourced from PubChem (CID 67304696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).