propan-2-yl 4-[(4-ethyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carbonyl)amino]benzoate

C24H25N3O5 — CID 75269478

About propan-2-yl 4-[(4-ethyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carbonyl)amino]benzoate

propan-2-yl 4-[(4-ethyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carbonyl)amino]benzoate (PubChem CID 75269478) has the molecular formula C24H25N3O5 and a molecular weight of 435.48 g/mol. Its IUPAC name is propan-2-yl 4-[(4-ethyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carbonyl)amino]benzoate.

Molecular Properties

• Compound Name: propan-2-yl 4-[(4-ethyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carbonyl)amino]benzoate
• PubChem CID: 75269478
• Molecular Formula: C24H25N3O5
• Molecular Weight: 435.48 g/mol
• Exact Mass: 435.18
• IUPAC Name: propan-2-yl 4-[(4-ethyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carbonyl)amino]benzoate
• SMILES: CCN1C(=O)c2ccccc2N2C(=O)CCC12C(=O)Nc1ccc(C(=O)OC(C)C)cc1
• InChI: InChI=1S/C24H25N3O5/c1-4-26-21(29)18-7-5-6-8-19(18)27-20(28)13-14-24(26,27)23(31)25-17-11-9-16(10-12-17)22(30)32-15(2)3/h5-12,15H,4,13-14H2,1-3H3,(H,25,31)
• InChIKey: FQRLAUSIUKYOGQ-UHFFFAOYSA-N
• XLogP: 3.19
• TPSA: 96.02 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	435.48
LogP ≤ 5	3.19
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 4-[(4-ethyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carbonyl)amino]benzoate?

The IUPAC name of propan-2-yl 4-[(4-ethyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carbonyl)amino]benzoate (CID 75269478) is propan-2-yl 4-[(4-ethyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carbonyl)amino]benzoate.

What is the SMILES notation for propan-2-yl 4-[(4-ethyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carbonyl)amino]benzoate?

The canonical SMILES for propan-2-yl 4-[(4-ethyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carbonyl)amino]benzoate is CCN1C(=O)c2ccccc2N2C(=O)CCC12C(=O)Nc1ccc(C(=O)OC(C)C)cc1.

What is the InChIKey of propan-2-yl 4-[(4-ethyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carbonyl)amino]benzoate?

The InChIKey is FQRLAUSIUKYOGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O5/c1-4-26-21(29)18-7-5-6-8-19(18)27-20(28)13-14-24(26,27)23(31)25-17-11-9-16(10-12-17)22(30)32-15(2)3/h5-12,15H,4,13-14H2,1-3H3,(H,25,31).

What are the key properties of propan-2-yl 4-[(4-ethyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carbonyl)amino]benzoate?

propan-2-yl 4-[(4-ethyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carbonyl)amino]benzoate has a molecular weight of 435.48 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for propan-2-yl 4-[(4-ethyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carbonyl)amino]benzoate is sourced from PubChem (CID 75269478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).