[(2S)-1-oxo-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]propan-2-yl] quinoxaline-6-carboxylate

C19H15N5O4 — CID 8890074

About [(2S)-1-oxo-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]propan-2-yl] quinoxaline-6-carboxylate

[(2S)-1-oxo-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]propan-2-yl] quinoxaline-6-carboxylate (PubChem CID 8890074) has the molecular formula C19H15N5O4 and a molecular weight of 377.36 g/mol. Its IUPAC name is [(2S)-1-oxo-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]propan-2-yl] quinoxaline-6-carboxylate.

Molecular Properties

• Compound Name: [(2S)-1-oxo-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]propan-2-yl] quinoxaline-6-carboxylate
• PubChem CID: 8890074
• Molecular Formula: C19H15N5O4
• Molecular Weight: 377.36 g/mol
• Exact Mass: 377.11
• IUPAC Name: [(2S)-1-oxo-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]propan-2-yl] quinoxaline-6-carboxylate
• SMILES: C[C@H](OC(=O)c1ccc2nccnc2c1)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1
• InChI: InChI=1S/C19H15N5O4/c1-10(17(25)22-12-3-5-14-16(9-12)24-19(27)23-14)28-18(26)11-2-4-13-15(8-11)21-7-6-20-13/h2-10H,1H3,(H,22,25)(H2,23,24,27)/t10-/m0/s1
• InChIKey: JFYGSSYIQTXBCC-JTQLQIEISA-N
• XLogP: 1.98
• TPSA: 129.83 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	377.36
LogP ≤ 5	1.98
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-oxo-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]propan-2-yl] quinoxaline-6-carboxylate?

The IUPAC name of [(2S)-1-oxo-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]propan-2-yl] quinoxaline-6-carboxylate (CID 8890074) is [(2S)-1-oxo-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]propan-2-yl] quinoxaline-6-carboxylate.

What is the SMILES notation for [(2S)-1-oxo-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]propan-2-yl] quinoxaline-6-carboxylate?

The canonical SMILES for [(2S)-1-oxo-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]propan-2-yl] quinoxaline-6-carboxylate is C[C@H](OC(=O)c1ccc2nccnc2c1)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1.

What is the InChIKey of [(2S)-1-oxo-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]propan-2-yl] quinoxaline-6-carboxylate?

The InChIKey is JFYGSSYIQTXBCC-JTQLQIEISA-N. The full InChI is InChI=1S/C19H15N5O4/c1-10(17(25)22-12-3-5-14-16(9-12)24-19(27)23-14)28-18(26)11-2-4-13-15(8-11)21-7-6-20-13/h2-10H,1H3,(H,22,25)(H2,23,24,27)/t10-/m0/s1.

What are the key properties of [(2S)-1-oxo-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]propan-2-yl] quinoxaline-6-carboxylate?

[(2S)-1-oxo-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]propan-2-yl] quinoxaline-6-carboxylate has a molecular weight of 377.36 g/mol, XLogP of 1.98, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [(2S)-1-oxo-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]propan-2-yl] quinoxaline-6-carboxylate is sourced from PubChem (CID 8890074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).