N-[3-(furan-2-yl)-1-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)pyrazol-5-yl]-2-(4-methylphenoxy)acetamide

C24H23N5O4 — CID 136615559

About N-[3-(furan-2-yl)-1-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)pyrazol-5-yl]-2-(4-methylphenoxy)acetamide

N-[3-(furan-2-yl)-1-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)pyrazol-5-yl]-2-(4-methylphenoxy)acetamide (PubChem CID 136615559) has the molecular formula C24H23N5O4 and a molecular weight of 445.48 g/mol. Its IUPAC name is N-[3-(furan-2-yl)-1-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)pyrazol-5-yl]-2-(4-methylphenoxy)acetamide.

Molecular Properties

• Compound Name: N-[3-(furan-2-yl)-1-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)pyrazol-5-yl]-2-(4-methylphenoxy)acetamide
• PubChem CID: 136615559
• Molecular Formula: C24H23N5O4
• Molecular Weight: 445.48 g/mol
• Exact Mass: 445.18
• IUPAC Name: N-[3-(furan-2-yl)-1-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)pyrazol-5-yl]-2-(4-methylphenoxy)acetamide
• SMILES: Cc1ccc(OCC(=O)Nc2cc(-c3ccco3)nn2-c2nc3c(c(=O)[nH]2)CCCC3)cc1
• InChI: InChI=1S/C24H23N5O4/c1-15-8-10-16(11-9-15)33-14-22(30)26-21-13-19(20-7-4-12-32-20)28-29(21)24-25-18-6-3-2-5-17(18)23(31)27-24/h4,7-13H,2-3,5-6,14H2,1H3,(H,26,30)(H,25,27,31)
• InChIKey: HBIUQVIJSZBNLM-UHFFFAOYSA-N
• XLogP: 3.42
• TPSA: 115.04 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	445.48
LogP ≤ 5	3.42
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[3-(furan-2-yl)-1-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)pyrazol-5-yl]-2-(4-methylphenoxy)acetamide?

The IUPAC name of N-[3-(furan-2-yl)-1-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)pyrazol-5-yl]-2-(4-methylphenoxy)acetamide (CID 136615559) is N-[3-(furan-2-yl)-1-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)pyrazol-5-yl]-2-(4-methylphenoxy)acetamide.

What is the SMILES notation for N-[3-(furan-2-yl)-1-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)pyrazol-5-yl]-2-(4-methylphenoxy)acetamide?

The canonical SMILES for N-[3-(furan-2-yl)-1-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)pyrazol-5-yl]-2-(4-methylphenoxy)acetamide is Cc1ccc(OCC(=O)Nc2cc(-c3ccco3)nn2-c2nc3c(c(=O)[nH]2)CCCC3)cc1.

What is the InChIKey of N-[3-(furan-2-yl)-1-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)pyrazol-5-yl]-2-(4-methylphenoxy)acetamide?

The InChIKey is HBIUQVIJSZBNLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O4/c1-15-8-10-16(11-9-15)33-14-22(30)26-21-13-19(20-7-4-12-32-20)28-29(21)24-25-18-6-3-2-5-17(18)23(31)27-24/h4,7-13H,2-3,5-6,14H2,1H3,(H,26,30)(H,25,27,31).

What are the key properties of N-[3-(furan-2-yl)-1-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)pyrazol-5-yl]-2-(4-methylphenoxy)acetamide?

N-[3-(furan-2-yl)-1-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)pyrazol-5-yl]-2-(4-methylphenoxy)acetamide has a molecular weight of 445.48 g/mol, XLogP of 3.42, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(furan-2-yl)-1-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)pyrazol-5-yl]-2-(4-methylphenoxy)acetamide is sourced from PubChem (CID 136615559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).