5-(7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)sulfonyl-3H-1,3-benzoxazol-2-one

C23H22N4O5S — CID 70814171

About 5-(7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)sulfonyl-3H-1,3-benzoxazol-2-one

5-(7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)sulfonyl-3H-1,3-benzoxazol-2-one (PubChem CID 70814171) has the molecular formula C23H22N4O5S and a molecular weight of 466.52 g/mol. Its IUPAC name is 5-(7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)sulfonyl-3H-1,3-benzoxazol-2-one.

Molecular Properties

• Compound Name: 5-(7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)sulfonyl-3H-1,3-benzoxazol-2-one
• PubChem CID: 70814171
• Molecular Formula: C23H22N4O5S
• Molecular Weight: 466.52 g/mol
• Exact Mass: 466.13
• IUPAC Name: 5-(7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)sulfonyl-3H-1,3-benzoxazol-2-one
• SMILES: COc1ccc2c(c1)NC1(CCN(S(=O)(=O)c3ccc4oc(=O)[nH]c4c3)CC1)c1cccn1-2
• InChI: InChI=1S/C23H22N4O5S/c1-31-15-4-6-19-17(13-15)25-23(21-3-2-10-27(19)21)8-11-26(12-9-23)33(29,30)16-5-7-20-18(14-16)24-22(28)32-20/h2-7,10,13-14,25H,8-9,11-12H2,1H3,(H,24,28)
• InChIKey: YTHVJHGYPCUJJG-UHFFFAOYSA-N
• XLogP: 3.03
• TPSA: 109.57 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	466.52
LogP ≤ 5	3.03
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-(7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)sulfonyl-3H-1,3-benzoxazol-2-one?

The IUPAC name of 5-(7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)sulfonyl-3H-1,3-benzoxazol-2-one (CID 70814171) is 5-(7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)sulfonyl-3H-1,3-benzoxazol-2-one.

What is the SMILES notation for 5-(7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)sulfonyl-3H-1,3-benzoxazol-2-one?

The canonical SMILES for 5-(7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)sulfonyl-3H-1,3-benzoxazol-2-one is COc1ccc2c(c1)NC1(CCN(S(=O)(=O)c3ccc4oc(=O)[nH]c4c3)CC1)c1cccn1-2.

What is the InChIKey of 5-(7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)sulfonyl-3H-1,3-benzoxazol-2-one?

The InChIKey is YTHVJHGYPCUJJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O5S/c1-31-15-4-6-19-17(13-15)25-23(21-3-2-10-27(19)21)8-11-26(12-9-23)33(29,30)16-5-7-20-18(14-16)24-22(28)32-20/h2-7,10,13-14,25H,8-9,11-12H2,1H3,(H,24,28).

What are the key properties of 5-(7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)sulfonyl-3H-1,3-benzoxazol-2-one?

5-(7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)sulfonyl-3H-1,3-benzoxazol-2-one has a molecular weight of 466.52 g/mol, XLogP of 3.03, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)sulfonyl-3H-1,3-benzoxazol-2-one is sourced from PubChem (CID 70814171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).