N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-2-(5,11-dioxo-6aH-isoindolo[2,1-a]quinazolin-6-yl)acetamide

C28H25N3O5 — CID 127255333

About N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-2-(5,11-dioxo-6aH-isoindolo[2,1-a]quinazolin-6-yl)acetamide

N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-2-(5,11-dioxo-6aH-isoindolo[2,1-a]quinazolin-6-yl)acetamide (PubChem CID 127255333) has the molecular formula C28H25N3O5 and a molecular weight of 483.52 g/mol. Its IUPAC name is N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-2-(5,11-dioxo-6aH-isoindolo[2,1-a]quinazolin-6-yl)acetamide.

Molecular Properties

• Compound Name: N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-2-(5,11-dioxo-6aH-isoindolo[2,1-a]quinazolin-6-yl)acetamide
• PubChem CID: 127255333
• Molecular Formula: C28H25N3O5
• Molecular Weight: 483.52 g/mol
• Exact Mass: 483.18
• IUPAC Name: N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-2-(5,11-dioxo-6aH-isoindolo[2,1-a]quinazolin-6-yl)acetamide
• SMILES: COc1cc2c(cc1OC)C(NC(=O)CN1C(=O)c3ccccc3N3C(=O)c4ccccc4C13)CC2
• InChI: InChI=1S/C28H25N3O5/c1-35-23-13-16-11-12-21(20(16)14-24(23)36-2)29-25(32)15-30-26-17-7-3-4-8-18(17)28(34)31(26)22-10-6-5-9-19(22)27(30)33/h3-10,13-14,21,26H,11-12,15H2,1-2H3,(H,29,32)
• InChIKey: PXQNVBYZLBRISQ-UHFFFAOYSA-N
• XLogP: 3.62
• TPSA: 88.18 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	483.52
LogP ≤ 5	3.62
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-2-(5,11-dioxo-6aH-isoindolo[2,1-a]quinazolin-6-yl)acetamide?

The IUPAC name of N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-2-(5,11-dioxo-6aH-isoindolo[2,1-a]quinazolin-6-yl)acetamide (CID 127255333) is N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-2-(5,11-dioxo-6aH-isoindolo[2,1-a]quinazolin-6-yl)acetamide.

What is the SMILES notation for N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-2-(5,11-dioxo-6aH-isoindolo[2,1-a]quinazolin-6-yl)acetamide?

The canonical SMILES for N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-2-(5,11-dioxo-6aH-isoindolo[2,1-a]quinazolin-6-yl)acetamide is COc1cc2c(cc1OC)C(NC(=O)CN1C(=O)c3ccccc3N3C(=O)c4ccccc4C13)CC2.

What is the InChIKey of N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-2-(5,11-dioxo-6aH-isoindolo[2,1-a]quinazolin-6-yl)acetamide?

The InChIKey is PXQNVBYZLBRISQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25N3O5/c1-35-23-13-16-11-12-21(20(16)14-24(23)36-2)29-25(32)15-30-26-17-7-3-4-8-18(17)28(34)31(26)22-10-6-5-9-19(22)27(30)33/h3-10,13-14,21,26H,11-12,15H2,1-2H3,(H,29,32).

What are the key properties of N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-2-(5,11-dioxo-6aH-isoindolo[2,1-a]quinazolin-6-yl)acetamide?

N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-2-(5,11-dioxo-6aH-isoindolo[2,1-a]quinazolin-6-yl)acetamide has a molecular weight of 483.52 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-2-(5,11-dioxo-6aH-isoindolo[2,1-a]quinazolin-6-yl)acetamide is sourced from PubChem (CID 127255333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).