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

C25H25N5O5 — CID 136615565

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

2-(3,4-dimethoxyphenyl)-N-[3-(furan-2-yl)-1-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)pyrazol-5-yl]acetamide (PubChem CID 136615565) has the molecular formula C25H25N5O5 and a molecular weight of 475.51 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-N-[3-(furan-2-yl)-1-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)pyrazol-5-yl]acetamide.

Molecular Properties

• Compound Name: 2-(3,4-dimethoxyphenyl)-N-[3-(furan-2-yl)-1-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)pyrazol-5-yl]acetamide
• PubChem CID: 136615565
• Molecular Formula: C25H25N5O5
• Molecular Weight: 475.51 g/mol
• Exact Mass: 475.19
• IUPAC Name: 2-(3,4-dimethoxyphenyl)-N-[3-(furan-2-yl)-1-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)pyrazol-5-yl]acetamide
• SMILES: COc1ccc(CC(=O)Nc2cc(-c3ccco3)nn2-c2nc3c(c(=O)[nH]2)CCCC3)cc1OC
• InChI: InChI=1S/C25H25N5O5/c1-33-20-10-9-15(12-21(20)34-2)13-23(31)27-22-14-18(19-8-5-11-35-19)29-30(22)25-26-17-7-4-3-6-16(17)24(32)28-25/h5,8-12,14H,3-4,6-7,13H2,1-2H3,(H,27,31)(H,26,28,32)
• InChIKey: NQYDCLUXSHXZDV-UHFFFAOYSA-N
• XLogP: 3.29
• TPSA: 124.27 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	475.51
LogP ≤ 5	3.29
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 2-(3,4-dimethoxyphenyl)-N-[3-(furan-2-yl)-1-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)pyrazol-5-yl]acetamide (CID 136615565) is 2-(3,4-dimethoxyphenyl)-N-[3-(furan-2-yl)-1-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)pyrazol-5-yl]acetamide.

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

The canonical SMILES for 2-(3,4-dimethoxyphenyl)-N-[3-(furan-2-yl)-1-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)pyrazol-5-yl]acetamide is COc1ccc(CC(=O)Nc2cc(-c3ccco3)nn2-c2nc3c(c(=O)[nH]2)CCCC3)cc1OC.

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

The InChIKey is NQYDCLUXSHXZDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O5/c1-33-20-10-9-15(12-21(20)34-2)13-23(31)27-22-14-18(19-8-5-11-35-19)29-30(22)25-26-17-7-4-3-6-16(17)24(32)28-25/h5,8-12,14H,3-4,6-7,13H2,1-2H3,(H,27,31)(H,26,28,32).

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

2-(3,4-dimethoxyphenyl)-N-[3-(furan-2-yl)-1-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)pyrazol-5-yl]acetamide has a molecular weight of 475.51 g/mol, XLogP of 3.29, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3,4-dimethoxyphenyl)-N-[3-(furan-2-yl)-1-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)pyrazol-5-yl]acetamide is sourced from PubChem (CID 136615565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).