3,5-dimethoxy-N-[1-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]benzamide

C24H23N5O4S — CID 136606010

About 3,5-dimethoxy-N-[1-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]benzamide

3,5-dimethoxy-N-[1-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]benzamide (PubChem CID 136606010) has the molecular formula C24H23N5O4S and a molecular weight of 477.55 g/mol. Its IUPAC name is 3,5-dimethoxy-N-[1-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]benzamide.

Molecular Properties

• Compound Name: 3,5-dimethoxy-N-[1-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]benzamide
• PubChem CID: 136606010
• Molecular Formula: C24H23N5O4S
• Molecular Weight: 477.55 g/mol
• Exact Mass: 477.15
• IUPAC Name: 3,5-dimethoxy-N-[1-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]benzamide
• SMILES: COc1cc(OC)cc(C(=O)Nc2cc(-c3cccs3)nn2-c2nc3c(c(=O)[nH]2)CCCC3)c1
• InChI: InChI=1S/C24H23N5O4S/c1-32-15-10-14(11-16(12-15)33-2)22(30)26-21-13-19(20-8-5-9-34-20)28-29(21)24-25-18-7-4-3-6-17(18)23(31)27-24/h5,8-13H,3-4,6-7H2,1-2H3,(H,26,30)(H,25,27,31)
• InChIKey: YQBFPTFZGPBKEY-UHFFFAOYSA-N
• XLogP: 3.83
• TPSA: 111.13 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	477.55
LogP ≤ 5	3.83
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxy-N-[1-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]benzamide?

The IUPAC name of 3,5-dimethoxy-N-[1-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]benzamide (CID 136606010) is 3,5-dimethoxy-N-[1-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]benzamide.

What is the SMILES notation for 3,5-dimethoxy-N-[1-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]benzamide?

The canonical SMILES for 3,5-dimethoxy-N-[1-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]benzamide is COc1cc(OC)cc(C(=O)Nc2cc(-c3cccs3)nn2-c2nc3c(c(=O)[nH]2)CCCC3)c1.

What is the InChIKey of 3,5-dimethoxy-N-[1-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]benzamide?

The InChIKey is YQBFPTFZGPBKEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O4S/c1-32-15-10-14(11-16(12-15)33-2)22(30)26-21-13-19(20-8-5-9-34-20)28-29(21)24-25-18-7-4-3-6-17(18)23(31)27-24/h5,8-13H,3-4,6-7H2,1-2H3,(H,26,30)(H,25,27,31).

What are the key properties of 3,5-dimethoxy-N-[1-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]benzamide?

3,5-dimethoxy-N-[1-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]benzamide has a molecular weight of 477.55 g/mol, XLogP of 3.83, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3,5-dimethoxy-N-[1-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]benzamide is sourced from PubChem (CID 136606010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).