4-benzyl-N-methyl-1,5-dioxo-N-phenyl-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxamide

C26H23N3O3 — CID 112773303

About 4-benzyl-N-methyl-1,5-dioxo-N-phenyl-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxamide

4-benzyl-N-methyl-1,5-dioxo-N-phenyl-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxamide (PubChem CID 112773303) has the molecular formula C26H23N3O3 and a molecular weight of 425.49 g/mol. Its IUPAC name is 4-benzyl-N-methyl-1,5-dioxo-N-phenyl-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxamide.

Molecular Properties

• Compound Name: 4-benzyl-N-methyl-1,5-dioxo-N-phenyl-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxamide
• PubChem CID: 112773303
• Molecular Formula: C26H23N3O3
• Molecular Weight: 425.49 g/mol
• Exact Mass: 425.17
• IUPAC Name: 4-benzyl-N-methyl-1,5-dioxo-N-phenyl-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxamide
• SMILES: CN(C(=O)C12CCC(=O)N1c1ccccc1C(=O)N2Cc1ccccc1)c1ccccc1
• InChI: InChI=1S/C26H23N3O3/c1-27(20-12-6-3-7-13-20)25(32)26-17-16-23(30)29(26)22-15-9-8-14-21(22)24(31)28(26)18-19-10-4-2-5-11-19/h2-15H,16-18H2,1H3
• InChIKey: KTOLFBJGUQQTQN-UHFFFAOYSA-N
• XLogP: 3.83
• TPSA: 60.93 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	425.49
LogP ≤ 5	3.83
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of 4-benzyl-N-methyl-1,5-dioxo-N-phenyl-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxamide (CID 112773303) is 4-benzyl-N-methyl-1,5-dioxo-N-phenyl-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxamide.

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

The canonical SMILES for 4-benzyl-N-methyl-1,5-dioxo-N-phenyl-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxamide is CN(C(=O)C12CCC(=O)N1c1ccccc1C(=O)N2Cc1ccccc1)c1ccccc1.

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

The InChIKey is KTOLFBJGUQQTQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O3/c1-27(20-12-6-3-7-13-20)25(32)26-17-16-23(30)29(26)22-15-9-8-14-21(22)24(31)28(26)18-19-10-4-2-5-11-19/h2-15H,16-18H2,1H3.

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

4-benzyl-N-methyl-1,5-dioxo-N-phenyl-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxamide has a molecular weight of 425.49 g/mol, XLogP of 3.83, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 4-benzyl-N-methyl-1,5-dioxo-N-phenyl-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxamide is sourced from PubChem (CID 112773303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).