N-(furan-2-ylmethyl)-2-[5-methyl-1-(4-propan-2-ylphenyl)pyrazol-4-yl]quinoline-4-carboxamide

C28H26N4O2 — CID 46323493

About N-(furan-2-ylmethyl)-2-[5-methyl-1-(4-propan-2-ylphenyl)pyrazol-4-yl]quinoline-4-carboxamide

N-(furan-2-ylmethyl)-2-[5-methyl-1-(4-propan-2-ylphenyl)pyrazol-4-yl]quinoline-4-carboxamide (PubChem CID 46323493) has the molecular formula C28H26N4O2 and a molecular weight of 450.54 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-[5-methyl-1-(4-propan-2-ylphenyl)pyrazol-4-yl]quinoline-4-carboxamide.

Molecular Properties

• Compound Name: N-(furan-2-ylmethyl)-2-[5-methyl-1-(4-propan-2-ylphenyl)pyrazol-4-yl]quinoline-4-carboxamide
• PubChem CID: 46323493
• Molecular Formula: C28H26N4O2
• Molecular Weight: 450.54 g/mol
• Exact Mass: 450.21
• IUPAC Name: N-(furan-2-ylmethyl)-2-[5-methyl-1-(4-propan-2-ylphenyl)pyrazol-4-yl]quinoline-4-carboxamide
• SMILES: Cc1c(-c2cc(C(=O)NCc3ccco3)c3ccccc3n2)cnn1-c1ccc(C(C)C)cc1
• InChI: InChI=1S/C28H26N4O2/c1-18(2)20-10-12-21(13-11-20)32-19(3)25(17-30-32)27-15-24(23-8-4-5-9-26(23)31-27)28(33)29-16-22-7-6-14-34-22/h4-15,17-18H,16H2,1-3H3,(H,29,33)
• InChIKey: CJJVXGPWXRFQIS-UHFFFAOYSA-N
• XLogP: 6.04
• TPSA: 72.95 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	450.54
LogP ≤ 5	6.04
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-[5-methyl-1-(4-propan-2-ylphenyl)pyrazol-4-yl]quinoline-4-carboxamide?

The IUPAC name of N-(furan-2-ylmethyl)-2-[5-methyl-1-(4-propan-2-ylphenyl)pyrazol-4-yl]quinoline-4-carboxamide (CID 46323493) is N-(furan-2-ylmethyl)-2-[5-methyl-1-(4-propan-2-ylphenyl)pyrazol-4-yl]quinoline-4-carboxamide.

What is the SMILES notation for N-(furan-2-ylmethyl)-2-[5-methyl-1-(4-propan-2-ylphenyl)pyrazol-4-yl]quinoline-4-carboxamide?

The canonical SMILES for N-(furan-2-ylmethyl)-2-[5-methyl-1-(4-propan-2-ylphenyl)pyrazol-4-yl]quinoline-4-carboxamide is Cc1c(-c2cc(C(=O)NCc3ccco3)c3ccccc3n2)cnn1-c1ccc(C(C)C)cc1.

What is the InChIKey of N-(furan-2-ylmethyl)-2-[5-methyl-1-(4-propan-2-ylphenyl)pyrazol-4-yl]quinoline-4-carboxamide?

The InChIKey is CJJVXGPWXRFQIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N4O2/c1-18(2)20-10-12-21(13-11-20)32-19(3)25(17-30-32)27-15-24(23-8-4-5-9-26(23)31-27)28(33)29-16-22-7-6-14-34-22/h4-15,17-18H,16H2,1-3H3,(H,29,33).

What are the key properties of N-(furan-2-ylmethyl)-2-[5-methyl-1-(4-propan-2-ylphenyl)pyrazol-4-yl]quinoline-4-carboxamide?

N-(furan-2-ylmethyl)-2-[5-methyl-1-(4-propan-2-ylphenyl)pyrazol-4-yl]quinoline-4-carboxamide has a molecular weight of 450.54 g/mol, XLogP of 6.04, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(furan-2-ylmethyl)-2-[5-methyl-1-(4-propan-2-ylphenyl)pyrazol-4-yl]quinoline-4-carboxamide is sourced from PubChem (CID 46323493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).