propyl 4-oxo-8-[propan-2-yl-[[(2S)-pyrrolidin-2-yl]methyl]sulfamoyl]-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylate

C23H30N4O5S — CID 15948392

About propyl 4-oxo-8-[propan-2-yl-[[(2S)-pyrrolidin-2-yl]methyl]sulfamoyl]-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylate

propyl 4-oxo-8-[propan-2-yl-[[(2S)-pyrrolidin-2-yl]methyl]sulfamoyl]-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylate (PubChem CID 15948392) has the molecular formula C23H30N4O5S and a molecular weight of 474.58 g/mol. Its IUPAC name is propyl 4-oxo-8-[propan-2-yl-[[(2S)-pyrrolidin-2-yl]methyl]sulfamoyl]-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylate.

Molecular Properties

• Compound Name: propyl 4-oxo-8-[propan-2-yl-[[(2S)-pyrrolidin-2-yl]methyl]sulfamoyl]-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylate
• PubChem CID: 15948392
• Molecular Formula: C23H30N4O5S
• Molecular Weight: 474.58 g/mol
• Exact Mass: 474.19
• IUPAC Name: propyl 4-oxo-8-[propan-2-yl-[[(2S)-pyrrolidin-2-yl]methyl]sulfamoyl]-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylate
• SMILES: CCCOC(=O)c1c[nH]c2c(=O)[nH]c3ccc(S(=O)(=O)N(C[C@@H]4CCCN4)C(C)C)cc3c12
• InChI: InChI=1S/C23H30N4O5S/c1-4-10-32-23(29)18-12-25-21-20(18)17-11-16(7-8-19(17)26-22(21)28)33(30,31)27(14(2)3)13-15-6-5-9-24-15/h7-8,11-12,14-15,24-25H,4-6,9-10,13H2,1-3H3,(H,26,28)/t15-/m0/s1
• InChIKey: JVBVGQGGNKRIJA-HNNXBMFYSA-N
• XLogP: 2.73
• TPSA: 124.36 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	474.58
LogP ≤ 5	2.73
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of propyl 4-oxo-8-[propan-2-yl-[[(2S)-pyrrolidin-2-yl]methyl]sulfamoyl]-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylate?

The IUPAC name of propyl 4-oxo-8-[propan-2-yl-[[(2S)-pyrrolidin-2-yl]methyl]sulfamoyl]-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylate (CID 15948392) is propyl 4-oxo-8-[propan-2-yl-[[(2S)-pyrrolidin-2-yl]methyl]sulfamoyl]-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylate.

What is the SMILES notation for propyl 4-oxo-8-[propan-2-yl-[[(2S)-pyrrolidin-2-yl]methyl]sulfamoyl]-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylate?

The canonical SMILES for propyl 4-oxo-8-[propan-2-yl-[[(2S)-pyrrolidin-2-yl]methyl]sulfamoyl]-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylate is CCCOC(=O)c1c[nH]c2c(=O)[nH]c3ccc(S(=O)(=O)N(C[C@@H]4CCCN4)C(C)C)cc3c12.

What is the InChIKey of propyl 4-oxo-8-[propan-2-yl-[[(2S)-pyrrolidin-2-yl]methyl]sulfamoyl]-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylate?

The InChIKey is JVBVGQGGNKRIJA-HNNXBMFYSA-N. The full InChI is InChI=1S/C23H30N4O5S/c1-4-10-32-23(29)18-12-25-21-20(18)17-11-16(7-8-19(17)26-22(21)28)33(30,31)27(14(2)3)13-15-6-5-9-24-15/h7-8,11-12,14-15,24-25H,4-6,9-10,13H2,1-3H3,(H,26,28)/t15-/m0/s1.

What are the key properties of propyl 4-oxo-8-[propan-2-yl-[[(2S)-pyrrolidin-2-yl]methyl]sulfamoyl]-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylate?

propyl 4-oxo-8-[propan-2-yl-[[(2S)-pyrrolidin-2-yl]methyl]sulfamoyl]-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylate has a molecular weight of 474.58 g/mol, XLogP of 2.73, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for propyl 4-oxo-8-[propan-2-yl-[[(2S)-pyrrolidin-2-yl]methyl]sulfamoyl]-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylate is sourced from PubChem (CID 15948392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).