4-N-[5-methyl-1-[(5-propanoyl-1,2,4-oxadiazol-3-yl)methyl]pyrazol-4-yl]quinoline-2,4-dicarboxamide

C21H19N7O4 — CID 158943853

About 4-N-[5-methyl-1-[(5-propanoyl-1,2,4-oxadiazol-3-yl)methyl]pyrazol-4-yl]quinoline-2,4-dicarboxamide

4-N-[5-methyl-1-[(5-propanoyl-1,2,4-oxadiazol-3-yl)methyl]pyrazol-4-yl]quinoline-2,4-dicarboxamide (PubChem CID 158943853) has the molecular formula C21H19N7O4 and a molecular weight of 433.43 g/mol. Its IUPAC name is 4-N-[5-methyl-1-[(5-propanoyl-1,2,4-oxadiazol-3-yl)methyl]pyrazol-4-yl]quinoline-2,4-dicarboxamide.

Molecular Properties

• Compound Name: 4-N-[5-methyl-1-[(5-propanoyl-1,2,4-oxadiazol-3-yl)methyl]pyrazol-4-yl]quinoline-2,4-dicarboxamide
• PubChem CID: 158943853
• Molecular Formula: C21H19N7O4
• Molecular Weight: 433.43 g/mol
• Exact Mass: 433.15
• IUPAC Name: 4-N-[5-methyl-1-[(5-propanoyl-1,2,4-oxadiazol-3-yl)methyl]pyrazol-4-yl]quinoline-2,4-dicarboxamide
• SMILES: CCC(=O)c1nc(Cn2ncc(NC(=O)c3cc(C(N)=O)nc4ccccc34)c2C)no1
• InChI: InChI=1S/C21H19N7O4/c1-3-17(29)21-26-18(27-32-21)10-28-11(2)16(9-23-28)25-20(31)13-8-15(19(22)30)24-14-7-5-4-6-12(13)14/h4-9H,3,10H2,1-2H3,(H2,22,30)(H,25,31)
• InChIKey: JKOUFZVXHUGHIL-UHFFFAOYSA-N
• XLogP: 2.11
• TPSA: 158.89 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	433.43
LogP ≤ 5	2.11
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 4-N-[5-methyl-1-[(5-propanoyl-1,2,4-oxadiazol-3-yl)methyl]pyrazol-4-yl]quinoline-2,4-dicarboxamide?

The IUPAC name of 4-N-[5-methyl-1-[(5-propanoyl-1,2,4-oxadiazol-3-yl)methyl]pyrazol-4-yl]quinoline-2,4-dicarboxamide (CID 158943853) is 4-N-[5-methyl-1-[(5-propanoyl-1,2,4-oxadiazol-3-yl)methyl]pyrazol-4-yl]quinoline-2,4-dicarboxamide.

What is the SMILES notation for 4-N-[5-methyl-1-[(5-propanoyl-1,2,4-oxadiazol-3-yl)methyl]pyrazol-4-yl]quinoline-2,4-dicarboxamide?

The canonical SMILES for 4-N-[5-methyl-1-[(5-propanoyl-1,2,4-oxadiazol-3-yl)methyl]pyrazol-4-yl]quinoline-2,4-dicarboxamide is CCC(=O)c1nc(Cn2ncc(NC(=O)c3cc(C(N)=O)nc4ccccc34)c2C)no1.

What is the InChIKey of 4-N-[5-methyl-1-[(5-propanoyl-1,2,4-oxadiazol-3-yl)methyl]pyrazol-4-yl]quinoline-2,4-dicarboxamide?

The InChIKey is JKOUFZVXHUGHIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N7O4/c1-3-17(29)21-26-18(27-32-21)10-28-11(2)16(9-23-28)25-20(31)13-8-15(19(22)30)24-14-7-5-4-6-12(13)14/h4-9H,3,10H2,1-2H3,(H2,22,30)(H,25,31).

What are the key properties of 4-N-[5-methyl-1-[(5-propanoyl-1,2,4-oxadiazol-3-yl)methyl]pyrazol-4-yl]quinoline-2,4-dicarboxamide?

4-N-[5-methyl-1-[(5-propanoyl-1,2,4-oxadiazol-3-yl)methyl]pyrazol-4-yl]quinoline-2,4-dicarboxamide has a molecular weight of 433.43 g/mol, XLogP of 2.11, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 4-N-[5-methyl-1-[(5-propanoyl-1,2,4-oxadiazol-3-yl)methyl]pyrazol-4-yl]quinoline-2,4-dicarboxamide is sourced from PubChem (CID 158943853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).