1-[4-[[5-(7-methoxyquinolin-4-yl)oxy-2-pyridinyl]carbamoyl]-5-methyl-3-oxo-2-phenylpyrazol-1-yl]propan-2-yl 2-(methylamino)acetate

C32H32N6O6 — CID 68740542

About 1-[4-[[5-(7-methoxyquinolin-4-yl)oxy-2-pyridinyl]carbamoyl]-5-methyl-3-oxo-2-phenylpyrazol-1-yl]propan-2-yl 2-(methylamino)acetate

1-[4-[[5-(7-methoxyquinolin-4-yl)oxy-2-pyridinyl]carbamoyl]-5-methyl-3-oxo-2-phenylpyrazol-1-yl]propan-2-yl 2-(methylamino)acetate (PubChem CID 68740542) has the molecular formula C32H32N6O6 and a molecular weight of 596.64 g/mol. Its IUPAC name is 1-[4-[[5-(7-methoxyquinolin-4-yl)oxy-2-pyridinyl]carbamoyl]-5-methyl-3-oxo-2-phenylpyrazol-1-yl]propan-2-yl 2-(methylamino)acetate.

Molecular Properties

• Compound Name: 1-[4-[[5-(7-methoxyquinolin-4-yl)oxy-2-pyridinyl]carbamoyl]-5-methyl-3-oxo-2-phenylpyrazol-1-yl]propan-2-yl 2-(methylamino)acetate
• PubChem CID: 68740542
• Molecular Formula: C32H32N6O6
• Molecular Weight: 596.64 g/mol
• Exact Mass: 596.24
• IUPAC Name: 1-[4-[[5-(7-methoxyquinolin-4-yl)oxy-2-pyridinyl]carbamoyl]-5-methyl-3-oxo-2-phenylpyrazol-1-yl]propan-2-yl 2-(methylamino)acetate
• SMILES: CNCC(=O)OC(C)Cn1c(C)c(C(=O)Nc2ccc(Oc3ccnc4cc(OC)ccc34)cn2)c(=O)n1-c1ccccc1
• InChI: InChI=1S/C32H32N6O6/c1-20(43-29(39)18-33-3)19-37-21(2)30(32(41)38(37)22-8-6-5-7-9-22)31(40)36-28-13-11-24(17-35-28)44-27-14-15-34-26-16-23(42-4)10-12-25(26)27/h5-17,20,33H,18-19H2,1-4H3,(H,35,36,40)
• InChIKey: WZSGPSWNHBDVDI-UHFFFAOYSA-N
• XLogP: 4.09
• TPSA: 138.60 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 11
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	596.64
LogP ≤ 5	4.09
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[5-(7-methoxyquinolin-4-yl)oxy-2-pyridinyl]carbamoyl]-5-methyl-3-oxo-2-phenylpyrazol-1-yl]propan-2-yl 2-(methylamino)acetate?

The IUPAC name of 1-[4-[[5-(7-methoxyquinolin-4-yl)oxy-2-pyridinyl]carbamoyl]-5-methyl-3-oxo-2-phenylpyrazol-1-yl]propan-2-yl 2-(methylamino)acetate (CID 68740542) is 1-[4-[[5-(7-methoxyquinolin-4-yl)oxy-2-pyridinyl]carbamoyl]-5-methyl-3-oxo-2-phenylpyrazol-1-yl]propan-2-yl 2-(methylamino)acetate.

What is the SMILES notation for 1-[4-[[5-(7-methoxyquinolin-4-yl)oxy-2-pyridinyl]carbamoyl]-5-methyl-3-oxo-2-phenylpyrazol-1-yl]propan-2-yl 2-(methylamino)acetate?

The canonical SMILES for 1-[4-[[5-(7-methoxyquinolin-4-yl)oxy-2-pyridinyl]carbamoyl]-5-methyl-3-oxo-2-phenylpyrazol-1-yl]propan-2-yl 2-(methylamino)acetate is CNCC(=O)OC(C)Cn1c(C)c(C(=O)Nc2ccc(Oc3ccnc4cc(OC)ccc34)cn2)c(=O)n1-c1ccccc1.

What is the InChIKey of 1-[4-[[5-(7-methoxyquinolin-4-yl)oxy-2-pyridinyl]carbamoyl]-5-methyl-3-oxo-2-phenylpyrazol-1-yl]propan-2-yl 2-(methylamino)acetate?

The InChIKey is WZSGPSWNHBDVDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32N6O6/c1-20(43-29(39)18-33-3)19-37-21(2)30(32(41)38(37)22-8-6-5-7-9-22)31(40)36-28-13-11-24(17-35-28)44-27-14-15-34-26-16-23(42-4)10-12-25(26)27/h5-17,20,33H,18-19H2,1-4H3,(H,35,36,40).

What are the key properties of 1-[4-[[5-(7-methoxyquinolin-4-yl)oxy-2-pyridinyl]carbamoyl]-5-methyl-3-oxo-2-phenylpyrazol-1-yl]propan-2-yl 2-(methylamino)acetate?

1-[4-[[5-(7-methoxyquinolin-4-yl)oxy-2-pyridinyl]carbamoyl]-5-methyl-3-oxo-2-phenylpyrazol-1-yl]propan-2-yl 2-(methylamino)acetate has a molecular weight of 596.64 g/mol, XLogP of 4.09, 11 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[[5-(7-methoxyquinolin-4-yl)oxy-2-pyridinyl]carbamoyl]-5-methyl-3-oxo-2-phenylpyrazol-1-yl]propan-2-yl 2-(methylamino)acetate is sourced from PubChem (CID 68740542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).