[2-[(2-methoxycarbonylthiophen-3-yl)amino]-2-oxoethyl] 4-cyclopropyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxylate

C23H21N3O7S — CID 55481555

About [2-[(2-methoxycarbonylthiophen-3-yl)amino]-2-oxoethyl] 4-cyclopropyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxylate

[2-[(2-methoxycarbonylthiophen-3-yl)amino]-2-oxoethyl] 4-cyclopropyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxylate (PubChem CID 55481555) has the molecular formula C23H21N3O7S and a molecular weight of 483.50 g/mol. Its IUPAC name is [2-[(2-methoxycarbonylthiophen-3-yl)amino]-2-oxoethyl] 4-cyclopropyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxylate.

Molecular Properties

• Compound Name: [2-[(2-methoxycarbonylthiophen-3-yl)amino]-2-oxoethyl] 4-cyclopropyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxylate
• PubChem CID: 55481555
• Molecular Formula: C23H21N3O7S
• Molecular Weight: 483.50 g/mol
• Exact Mass: 483.11
• IUPAC Name: [2-[(2-methoxycarbonylthiophen-3-yl)amino]-2-oxoethyl] 4-cyclopropyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxylate
• SMILES: COC(=O)c1sccc1NC(=O)COC(=O)C12CCC(=O)N1c1ccccc1C(=O)N2C1CC1
• InChI: InChI=1S/C23H21N3O7S/c1-32-21(30)19-15(9-11-34-19)24-17(27)12-33-22(31)23-10-8-18(28)26(23)16-5-3-2-4-14(16)20(29)25(23)13-6-7-13/h2-5,9,11,13H,6-8,10,12H2,1H3,(H,24,27)
• InChIKey: JBMBPNQZWZSFEA-UHFFFAOYSA-N
• XLogP: 2.16
• TPSA: 122.32 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	483.50
LogP ≤ 5	2.16
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of [2-[(2-methoxycarbonylthiophen-3-yl)amino]-2-oxoethyl] 4-cyclopropyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxylate?

The IUPAC name of [2-[(2-methoxycarbonylthiophen-3-yl)amino]-2-oxoethyl] 4-cyclopropyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxylate (CID 55481555) is [2-[(2-methoxycarbonylthiophen-3-yl)amino]-2-oxoethyl] 4-cyclopropyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxylate.

What is the SMILES notation for [2-[(2-methoxycarbonylthiophen-3-yl)amino]-2-oxoethyl] 4-cyclopropyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxylate?

The canonical SMILES for [2-[(2-methoxycarbonylthiophen-3-yl)amino]-2-oxoethyl] 4-cyclopropyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxylate is COC(=O)c1sccc1NC(=O)COC(=O)C12CCC(=O)N1c1ccccc1C(=O)N2C1CC1.

What is the InChIKey of [2-[(2-methoxycarbonylthiophen-3-yl)amino]-2-oxoethyl] 4-cyclopropyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxylate?

The InChIKey is JBMBPNQZWZSFEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O7S/c1-32-21(30)19-15(9-11-34-19)24-17(27)12-33-22(31)23-10-8-18(28)26(23)16-5-3-2-4-14(16)20(29)25(23)13-6-7-13/h2-5,9,11,13H,6-8,10,12H2,1H3,(H,24,27).

What are the key properties of [2-[(2-methoxycarbonylthiophen-3-yl)amino]-2-oxoethyl] 4-cyclopropyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxylate?

[2-[(2-methoxycarbonylthiophen-3-yl)amino]-2-oxoethyl] 4-cyclopropyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxylate has a molecular weight of 483.50 g/mol, XLogP of 2.16, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[(2-methoxycarbonylthiophen-3-yl)amino]-2-oxoethyl] 4-cyclopropyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxylate is sourced from PubChem (CID 55481555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).