4-benzyl-N-methyl-N-[(5-methylfuran-2-yl)methyl]-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxamide

C26H25N3O4 — CID 112773348

About 4-benzyl-N-methyl-N-[(5-methylfuran-2-yl)methyl]-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxamide

4-benzyl-N-methyl-N-[(5-methylfuran-2-yl)methyl]-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxamide (PubChem CID 112773348) has the molecular formula C26H25N3O4 and a molecular weight of 443.50 g/mol. Its IUPAC name is 4-benzyl-N-methyl-N-[(5-methylfuran-2-yl)methyl]-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxamide.

Molecular Properties

• Compound Name: 4-benzyl-N-methyl-N-[(5-methylfuran-2-yl)methyl]-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxamide
• PubChem CID: 112773348
• Molecular Formula: C26H25N3O4
• Molecular Weight: 443.50 g/mol
• Exact Mass: 443.18
• IUPAC Name: 4-benzyl-N-methyl-N-[(5-methylfuran-2-yl)methyl]-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxamide
• SMILES: Cc1ccc(CN(C)C(=O)C23CCC(=O)N2c2ccccc2C(=O)N3Cc2ccccc2)o1
• InChI: InChI=1S/C26H25N3O4/c1-18-12-13-20(33-18)17-27(2)25(32)26-15-14-23(30)29(26)22-11-7-6-10-21(22)24(31)28(26)16-19-8-4-3-5-9-19/h3-13H,14-17H2,1-2H3
• InChIKey: SNIQEUGOBTYBEN-UHFFFAOYSA-N
• XLogP: 3.73
• TPSA: 74.07 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	443.50
LogP ≤ 5	3.73
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-N-methyl-N-[(5-methylfuran-2-yl)methyl]-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxamide?

The IUPAC name of 4-benzyl-N-methyl-N-[(5-methylfuran-2-yl)methyl]-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxamide (CID 112773348) is 4-benzyl-N-methyl-N-[(5-methylfuran-2-yl)methyl]-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxamide.

What is the SMILES notation for 4-benzyl-N-methyl-N-[(5-methylfuran-2-yl)methyl]-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxamide?

The canonical SMILES for 4-benzyl-N-methyl-N-[(5-methylfuran-2-yl)methyl]-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxamide is Cc1ccc(CN(C)C(=O)C23CCC(=O)N2c2ccccc2C(=O)N3Cc2ccccc2)o1.

What is the InChIKey of 4-benzyl-N-methyl-N-[(5-methylfuran-2-yl)methyl]-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxamide?

The InChIKey is SNIQEUGOBTYBEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O4/c1-18-12-13-20(33-18)17-27(2)25(32)26-15-14-23(30)29(26)22-11-7-6-10-21(22)24(31)28(26)16-19-8-4-3-5-9-19/h3-13H,14-17H2,1-2H3.

What are the key properties of 4-benzyl-N-methyl-N-[(5-methylfuran-2-yl)methyl]-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxamide?

4-benzyl-N-methyl-N-[(5-methylfuran-2-yl)methyl]-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxamide has a molecular weight of 443.50 g/mol, XLogP of 3.73, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-benzyl-N-methyl-N-[(5-methylfuran-2-yl)methyl]-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxamide is sourced from PubChem (CID 112773348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).