N-[(2-methoxyphenyl)methyl]-2-[5-[2-[(5-methyl-1H-pyrazol-3-yl)amino]-2-oxoethyl]sulfanyl-2-oxo-3H-imidazo[1,2-c]quinazolin-3-yl]acetamide

C26H25N7O4S — CID 163335889

About N-[(2-methoxyphenyl)methyl]-2-[5-[2-[(5-methyl-1H-pyrazol-3-yl)amino]-2-oxoethyl]sulfanyl-2-oxo-3H-imidazo[1,2-c]quinazolin-3-yl]acetamide

N-[(2-methoxyphenyl)methyl]-2-[5-[2-[(5-methyl-1H-pyrazol-3-yl)amino]-2-oxoethyl]sulfanyl-2-oxo-3H-imidazo[1,2-c]quinazolin-3-yl]acetamide (PubChem CID 163335889) has the molecular formula C26H25N7O4S and a molecular weight of 531.60 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-2-[5-[2-[(5-methyl-1H-pyrazol-3-yl)amino]-2-oxoethyl]sulfanyl-2-oxo-3H-imidazo[1,2-c]quinazolin-3-yl]acetamide.

Molecular Properties

• Compound Name: N-[(2-methoxyphenyl)methyl]-2-[5-[2-[(5-methyl-1H-pyrazol-3-yl)amino]-2-oxoethyl]sulfanyl-2-oxo-3H-imidazo[1,2-c]quinazolin-3-yl]acetamide
• PubChem CID: 163335889
• Molecular Formula: C26H25N7O4S
• Molecular Weight: 531.60 g/mol
• Exact Mass: 531.17
• IUPAC Name: N-[(2-methoxyphenyl)methyl]-2-[5-[2-[(5-methyl-1H-pyrazol-3-yl)amino]-2-oxoethyl]sulfanyl-2-oxo-3H-imidazo[1,2-c]quinazolin-3-yl]acetamide
• SMILES: COc1ccccc1CNC(=O)CC1C(=O)N=C2c3ccccc3N=C(SCC(=O)Nc3cc(C)[nH]n3)N21
• InChI: InChI=1S/C26H25N7O4S/c1-15-11-21(32-31-15)29-23(35)14-38-26-28-18-9-5-4-8-17(18)24-30-25(36)19(33(24)26)12-22(34)27-13-16-7-3-6-10-20(16)37-2/h3-11,19H,12-14H2,1-2H3,(H,27,34)(H2,29,31,32,35)
• InChIKey: OLFGTAHQAUNZDZ-UHFFFAOYSA-N
• XLogP: 2.76
• TPSA: 141.14 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	531.60
LogP ≤ 5	2.76
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-2-[5-[2-[(5-methyl-1H-pyrazol-3-yl)amino]-2-oxoethyl]sulfanyl-2-oxo-3H-imidazo[1,2-c]quinazolin-3-yl]acetamide?

The IUPAC name of N-[(2-methoxyphenyl)methyl]-2-[5-[2-[(5-methyl-1H-pyrazol-3-yl)amino]-2-oxoethyl]sulfanyl-2-oxo-3H-imidazo[1,2-c]quinazolin-3-yl]acetamide (CID 163335889) is N-[(2-methoxyphenyl)methyl]-2-[5-[2-[(5-methyl-1H-pyrazol-3-yl)amino]-2-oxoethyl]sulfanyl-2-oxo-3H-imidazo[1,2-c]quinazolin-3-yl]acetamide.

What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-2-[5-[2-[(5-methyl-1H-pyrazol-3-yl)amino]-2-oxoethyl]sulfanyl-2-oxo-3H-imidazo[1,2-c]quinazolin-3-yl]acetamide?

The canonical SMILES for N-[(2-methoxyphenyl)methyl]-2-[5-[2-[(5-methyl-1H-pyrazol-3-yl)amino]-2-oxoethyl]sulfanyl-2-oxo-3H-imidazo[1,2-c]quinazolin-3-yl]acetamide is COc1ccccc1CNC(=O)CC1C(=O)N=C2c3ccccc3N=C(SCC(=O)Nc3cc(C)[nH]n3)N21.

What is the InChIKey of N-[(2-methoxyphenyl)methyl]-2-[5-[2-[(5-methyl-1H-pyrazol-3-yl)amino]-2-oxoethyl]sulfanyl-2-oxo-3H-imidazo[1,2-c]quinazolin-3-yl]acetamide?

The InChIKey is OLFGTAHQAUNZDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N7O4S/c1-15-11-21(32-31-15)29-23(35)14-38-26-28-18-9-5-4-8-17(18)24-30-25(36)19(33(24)26)12-22(34)27-13-16-7-3-6-10-20(16)37-2/h3-11,19H,12-14H2,1-2H3,(H,27,34)(H2,29,31,32,35).

What are the key properties of N-[(2-methoxyphenyl)methyl]-2-[5-[2-[(5-methyl-1H-pyrazol-3-yl)amino]-2-oxoethyl]sulfanyl-2-oxo-3H-imidazo[1,2-c]quinazolin-3-yl]acetamide?

N-[(2-methoxyphenyl)methyl]-2-[5-[2-[(5-methyl-1H-pyrazol-3-yl)amino]-2-oxoethyl]sulfanyl-2-oxo-3H-imidazo[1,2-c]quinazolin-3-yl]acetamide has a molecular weight of 531.60 g/mol, XLogP of 2.76, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2-methoxyphenyl)methyl]-2-[5-[2-[(5-methyl-1H-pyrazol-3-yl)amino]-2-oxoethyl]sulfanyl-2-oxo-3H-imidazo[1,2-c]quinazolin-3-yl]acetamide is sourced from PubChem (CID 163335889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).