N-(furan-2-ylmethyl)-2-[5-[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl-2-oxo-3H-imidazo[1,2-c]quinazolin-3-yl]acetamide

C26H23N5O5S — CID 163336651

About N-(furan-2-ylmethyl)-2-[5-[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl-2-oxo-3H-imidazo[1,2-c]quinazolin-3-yl]acetamide

N-(furan-2-ylmethyl)-2-[5-[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl-2-oxo-3H-imidazo[1,2-c]quinazolin-3-yl]acetamide (PubChem CID 163336651) has the molecular formula C26H23N5O5S and a molecular weight of 517.57 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-[5-[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl-2-oxo-3H-imidazo[1,2-c]quinazolin-3-yl]acetamide.

Molecular Properties

• Compound Name: N-(furan-2-ylmethyl)-2-[5-[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl-2-oxo-3H-imidazo[1,2-c]quinazolin-3-yl]acetamide
• PubChem CID: 163336651
• Molecular Formula: C26H23N5O5S
• Molecular Weight: 517.57 g/mol
• Exact Mass: 517.14
• IUPAC Name: N-(furan-2-ylmethyl)-2-[5-[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl-2-oxo-3H-imidazo[1,2-c]quinazolin-3-yl]acetamide
• SMILES: COc1ccc(NC(=O)CSC2=Nc3ccccc3C3=NC(=O)C(CC(=O)NCc4ccco4)N23)cc1
• InChI: InChI=1S/C26H23N5O5S/c1-35-17-10-8-16(9-11-17)28-23(33)15-37-26-29-20-7-3-2-6-19(20)24-30-25(34)21(31(24)26)13-22(32)27-14-18-5-4-12-36-18/h2-12,21H,13-15H2,1H3,(H,27,32)(H,28,33)
• InChIKey: FAMVNCNLMNZDKR-UHFFFAOYSA-N
• XLogP: 3.33
• TPSA: 125.60 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	517.57
LogP ≤ 5	3.33
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-[5-[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl-2-oxo-3H-imidazo[1,2-c]quinazolin-3-yl]acetamide?

The IUPAC name of N-(furan-2-ylmethyl)-2-[5-[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl-2-oxo-3H-imidazo[1,2-c]quinazolin-3-yl]acetamide (CID 163336651) is N-(furan-2-ylmethyl)-2-[5-[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl-2-oxo-3H-imidazo[1,2-c]quinazolin-3-yl]acetamide.

What is the SMILES notation for N-(furan-2-ylmethyl)-2-[5-[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl-2-oxo-3H-imidazo[1,2-c]quinazolin-3-yl]acetamide?

The canonical SMILES for N-(furan-2-ylmethyl)-2-[5-[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl-2-oxo-3H-imidazo[1,2-c]quinazolin-3-yl]acetamide is COc1ccc(NC(=O)CSC2=Nc3ccccc3C3=NC(=O)C(CC(=O)NCc4ccco4)N23)cc1.

What is the InChIKey of N-(furan-2-ylmethyl)-2-[5-[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl-2-oxo-3H-imidazo[1,2-c]quinazolin-3-yl]acetamide?

The InChIKey is FAMVNCNLMNZDKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N5O5S/c1-35-17-10-8-16(9-11-17)28-23(33)15-37-26-29-20-7-3-2-6-19(20)24-30-25(34)21(31(24)26)13-22(32)27-14-18-5-4-12-36-18/h2-12,21H,13-15H2,1H3,(H,27,32)(H,28,33).

What are the key properties of N-(furan-2-ylmethyl)-2-[5-[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl-2-oxo-3H-imidazo[1,2-c]quinazolin-3-yl]acetamide?

N-(furan-2-ylmethyl)-2-[5-[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl-2-oxo-3H-imidazo[1,2-c]quinazolin-3-yl]acetamide has a molecular weight of 517.57 g/mol, XLogP of 3.33, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-(furan-2-ylmethyl)-2-[5-[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl-2-oxo-3H-imidazo[1,2-c]quinazolin-3-yl]acetamide is sourced from PubChem (CID 163336651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).