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

C31H31N5O4S — CID 156610875

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

2-[5-[2-[benzyl(ethyl)amino]-2-oxoethyl]sulfanyl-2-oxo-3H-imidazo[1,2-c]quinazolin-3-yl]-N-[(2-methoxyphenyl)methyl]acetamide (PubChem CID 156610875) has the molecular formula C31H31N5O4S and a molecular weight of 569.69 g/mol. Its IUPAC name is 2-[5-[2-[benzyl(ethyl)amino]-2-oxoethyl]sulfanyl-2-oxo-3H-imidazo[1,2-c]quinazolin-3-yl]-N-[(2-methoxyphenyl)methyl]acetamide.

Molecular Properties

• Compound Name: 2-[5-[2-[benzyl(ethyl)amino]-2-oxoethyl]sulfanyl-2-oxo-3H-imidazo[1,2-c]quinazolin-3-yl]-N-[(2-methoxyphenyl)methyl]acetamide
• PubChem CID: 156610875
• Molecular Formula: C31H31N5O4S
• Molecular Weight: 569.69 g/mol
• Exact Mass: 569.21
• IUPAC Name: 2-[5-[2-[benzyl(ethyl)amino]-2-oxoethyl]sulfanyl-2-oxo-3H-imidazo[1,2-c]quinazolin-3-yl]-N-[(2-methoxyphenyl)methyl]acetamide
• SMILES: CCN(Cc1ccccc1)C(=O)CSC1=Nc2ccccc2C2=NC(=O)C(CC(=O)NCc3ccccc3OC)N12
• InChI: InChI=1S/C31H31N5O4S/c1-3-35(19-21-11-5-4-6-12-21)28(38)20-41-31-33-24-15-9-8-14-23(24)29-34-30(39)25(36(29)31)17-27(37)32-18-22-13-7-10-16-26(22)40-2/h4-16,25H,3,17-20H2,1-2H3,(H,32,37)
• InChIKey: WICNHYSZEMOSRI-UHFFFAOYSA-N
• XLogP: 4.14
• TPSA: 103.67 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	569.69
LogP ≤ 5	4.14
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 2-[5-[2-[benzyl(ethyl)amino]-2-oxoethyl]sulfanyl-2-oxo-3H-imidazo[1,2-c]quinazolin-3-yl]-N-[(2-methoxyphenyl)methyl]acetamide (CID 156610875) is 2-[5-[2-[benzyl(ethyl)amino]-2-oxoethyl]sulfanyl-2-oxo-3H-imidazo[1,2-c]quinazolin-3-yl]-N-[(2-methoxyphenyl)methyl]acetamide.

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

The canonical SMILES for 2-[5-[2-[benzyl(ethyl)amino]-2-oxoethyl]sulfanyl-2-oxo-3H-imidazo[1,2-c]quinazolin-3-yl]-N-[(2-methoxyphenyl)methyl]acetamide is CCN(Cc1ccccc1)C(=O)CSC1=Nc2ccccc2C2=NC(=O)C(CC(=O)NCc3ccccc3OC)N12.

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

The InChIKey is WICNHYSZEMOSRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H31N5O4S/c1-3-35(19-21-11-5-4-6-12-21)28(38)20-41-31-33-24-15-9-8-14-23(24)29-34-30(39)25(36(29)31)17-27(37)32-18-22-13-7-10-16-26(22)40-2/h4-16,25H,3,17-20H2,1-2H3,(H,32,37).

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

2-[5-[2-[benzyl(ethyl)amino]-2-oxoethyl]sulfanyl-2-oxo-3H-imidazo[1,2-c]quinazolin-3-yl]-N-[(2-methoxyphenyl)methyl]acetamide has a molecular weight of 569.69 g/mol, XLogP of 4.14, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-[2-[benzyl(ethyl)amino]-2-oxoethyl]sulfanyl-2-oxo-3H-imidazo[1,2-c]quinazolin-3-yl]-N-[(2-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 156610875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).