N-(furan-2-ylmethylcarbamoyl)-2-[2-methoxyethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide

C20H23N5O5 — CID 135809310

About N-(furan-2-ylmethylcarbamoyl)-2-[2-methoxyethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide

N-(furan-2-ylmethylcarbamoyl)-2-[2-methoxyethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide (PubChem CID 135809310) has the molecular formula C20H23N5O5 and a molecular weight of 413.43 g/mol. Its IUPAC name is N-(furan-2-ylmethylcarbamoyl)-2-[2-methoxyethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide.

Molecular Properties

• Compound Name: N-(furan-2-ylmethylcarbamoyl)-2-[2-methoxyethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide
• PubChem CID: 135809310
• Molecular Formula: C20H23N5O5
• Molecular Weight: 413.43 g/mol
• Exact Mass: 413.17
• IUPAC Name: N-(furan-2-ylmethylcarbamoyl)-2-[2-methoxyethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide
• SMILES: COCCN(CC(=O)NC(=O)NCc1ccco1)Cc1nc2ccccc2c(=O)[nH]1
• InChI: InChI=1S/C20H23N5O5/c1-29-10-8-25(12-17-22-16-7-3-2-6-15(16)19(27)23-17)13-18(26)24-20(28)21-11-14-5-4-9-30-14/h2-7,9H,8,10-13H2,1H3,(H,22,23,27)(H2,21,24,26,28)
• InChIKey: XGRULSJKGAVIKY-UHFFFAOYSA-N
• XLogP: 0.99
• TPSA: 129.56 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	413.43
LogP ≤ 5	0.99
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethylcarbamoyl)-2-[2-methoxyethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide?

The IUPAC name of N-(furan-2-ylmethylcarbamoyl)-2-[2-methoxyethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide (CID 135809310) is N-(furan-2-ylmethylcarbamoyl)-2-[2-methoxyethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide.

What is the SMILES notation for N-(furan-2-ylmethylcarbamoyl)-2-[2-methoxyethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide?

The canonical SMILES for N-(furan-2-ylmethylcarbamoyl)-2-[2-methoxyethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide is COCCN(CC(=O)NC(=O)NCc1ccco1)Cc1nc2ccccc2c(=O)[nH]1.

What is the InChIKey of N-(furan-2-ylmethylcarbamoyl)-2-[2-methoxyethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide?

The InChIKey is XGRULSJKGAVIKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O5/c1-29-10-8-25(12-17-22-16-7-3-2-6-15(16)19(27)23-17)13-18(26)24-20(28)21-11-14-5-4-9-30-14/h2-7,9H,8,10-13H2,1H3,(H,22,23,27)(H2,21,24,26,28).

What are the key properties of N-(furan-2-ylmethylcarbamoyl)-2-[2-methoxyethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide?

N-(furan-2-ylmethylcarbamoyl)-2-[2-methoxyethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide has a molecular weight of 413.43 g/mol, XLogP of 0.99, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(furan-2-ylmethylcarbamoyl)-2-[2-methoxyethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide is sourced from PubChem (CID 135809310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).