4-(5,11-dioxo-6aH-isoindolo[2,1-a]quinazolin-6-yl)-N-(furan-2-ylmethyl)butanamide

C24H21N3O4 — CID 91638441

About 4-(5,11-dioxo-6aH-isoindolo[2,1-a]quinazolin-6-yl)-N-(furan-2-ylmethyl)butanamide

4-(5,11-dioxo-6aH-isoindolo[2,1-a]quinazolin-6-yl)-N-(furan-2-ylmethyl)butanamide (PubChem CID 91638441) has the molecular formula C24H21N3O4 and a molecular weight of 415.45 g/mol. Its IUPAC name is 4-(5,11-dioxo-6aH-isoindolo[2,1-a]quinazolin-6-yl)-N-(furan-2-ylmethyl)butanamide.

Molecular Properties

• Compound Name: 4-(5,11-dioxo-6aH-isoindolo[2,1-a]quinazolin-6-yl)-N-(furan-2-ylmethyl)butanamide
• PubChem CID: 91638441
• Molecular Formula: C24H21N3O4
• Molecular Weight: 415.45 g/mol
• Exact Mass: 415.15
• IUPAC Name: 4-(5,11-dioxo-6aH-isoindolo[2,1-a]quinazolin-6-yl)-N-(furan-2-ylmethyl)butanamide
• SMILES: O=C(CCCN1C(=O)c2ccccc2N2C(=O)c3ccccc3C12)NCc1ccco1
• InChI: InChI=1S/C24H21N3O4/c28-21(25-15-16-7-6-14-31-16)12-5-13-26-22-17-8-1-2-9-18(17)24(30)27(22)20-11-4-3-10-19(20)23(26)29/h1-4,6-11,14,22H,5,12-13,15H2,(H,25,28)
• InChIKey: QJHGMNASFKRYMZ-UHFFFAOYSA-N
• XLogP: 3.49
• TPSA: 82.86 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	415.45
LogP ≤ 5	3.49
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 4-(5,11-dioxo-6aH-isoindolo[2,1-a]quinazolin-6-yl)-N-(furan-2-ylmethyl)butanamide?

The IUPAC name of 4-(5,11-dioxo-6aH-isoindolo[2,1-a]quinazolin-6-yl)-N-(furan-2-ylmethyl)butanamide (CID 91638441) is 4-(5,11-dioxo-6aH-isoindolo[2,1-a]quinazolin-6-yl)-N-(furan-2-ylmethyl)butanamide.

What is the SMILES notation for 4-(5,11-dioxo-6aH-isoindolo[2,1-a]quinazolin-6-yl)-N-(furan-2-ylmethyl)butanamide?

The canonical SMILES for 4-(5,11-dioxo-6aH-isoindolo[2,1-a]quinazolin-6-yl)-N-(furan-2-ylmethyl)butanamide is O=C(CCCN1C(=O)c2ccccc2N2C(=O)c3ccccc3C12)NCc1ccco1.

What is the InChIKey of 4-(5,11-dioxo-6aH-isoindolo[2,1-a]quinazolin-6-yl)-N-(furan-2-ylmethyl)butanamide?

The InChIKey is QJHGMNASFKRYMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O4/c28-21(25-15-16-7-6-14-31-16)12-5-13-26-22-17-8-1-2-9-18(17)24(30)27(22)20-11-4-3-10-19(20)23(26)29/h1-4,6-11,14,22H,5,12-13,15H2,(H,25,28).

What are the key properties of 4-(5,11-dioxo-6aH-isoindolo[2,1-a]quinazolin-6-yl)-N-(furan-2-ylmethyl)butanamide?

4-(5,11-dioxo-6aH-isoindolo[2,1-a]quinazolin-6-yl)-N-(furan-2-ylmethyl)butanamide has a molecular weight of 415.45 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(5,11-dioxo-6aH-isoindolo[2,1-a]quinazolin-6-yl)-N-(furan-2-ylmethyl)butanamide is sourced from PubChem (CID 91638441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).