propan-2-yl 4-acetyl-3-methyl-7-[5-methylidene-1-[(2-methylpyrazolidin-3-yl)methyl]pyrrolidin-3-yl]-2,3-dihydroquinoxaline-1-carboxylate

C25H37N5O3 — CID 123560770

About propan-2-yl 4-acetyl-3-methyl-7-[5-methylidene-1-[(2-methylpyrazolidin-3-yl)methyl]pyrrolidin-3-yl]-2,3-dihydroquinoxaline-1-carboxylate

propan-2-yl 4-acetyl-3-methyl-7-[5-methylidene-1-[(2-methylpyrazolidin-3-yl)methyl]pyrrolidin-3-yl]-2,3-dihydroquinoxaline-1-carboxylate (PubChem CID 123560770) has the molecular formula C25H37N5O3 and a molecular weight of 455.60 g/mol. Its IUPAC name is propan-2-yl 4-acetyl-3-methyl-7-[5-methylidene-1-[(2-methylpyrazolidin-3-yl)methyl]pyrrolidin-3-yl]-2,3-dihydroquinoxaline-1-carboxylate.

Molecular Properties

• Compound Name: propan-2-yl 4-acetyl-3-methyl-7-[5-methylidene-1-[(2-methylpyrazolidin-3-yl)methyl]pyrrolidin-3-yl]-2,3-dihydroquinoxaline-1-carboxylate
• PubChem CID: 123560770
• Molecular Formula: C25H37N5O3
• Molecular Weight: 455.60 g/mol
• Exact Mass: 455.29
• IUPAC Name: propan-2-yl 4-acetyl-3-methyl-7-[5-methylidene-1-[(2-methylpyrazolidin-3-yl)methyl]pyrrolidin-3-yl]-2,3-dihydroquinoxaline-1-carboxylate
• SMILES: C=C1CC(c2ccc3c(c2)N(C(=O)OC(C)C)CC(C)N3C(C)=O)CN1CC1CCNN1C
• InChI: InChI=1S/C25H37N5O3/c1-16(2)33-25(32)29-13-18(4)30(19(5)31)23-8-7-20(12-24(23)29)21-11-17(3)28(14-21)15-22-9-10-26-27(22)6/h7-8,12,16,18,21-22,26H,3,9-11,13-15H2,1-2,4-6H3
• InChIKey: BLQAJRLJJDKTOL-UHFFFAOYSA-N
• XLogP: 3.30
• TPSA: 68.36 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	455.60
LogP ≤ 5	3.30
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 4-acetyl-3-methyl-7-[5-methylidene-1-[(2-methylpyrazolidin-3-yl)methyl]pyrrolidin-3-yl]-2,3-dihydroquinoxaline-1-carboxylate?

The IUPAC name of propan-2-yl 4-acetyl-3-methyl-7-[5-methylidene-1-[(2-methylpyrazolidin-3-yl)methyl]pyrrolidin-3-yl]-2,3-dihydroquinoxaline-1-carboxylate (CID 123560770) is propan-2-yl 4-acetyl-3-methyl-7-[5-methylidene-1-[(2-methylpyrazolidin-3-yl)methyl]pyrrolidin-3-yl]-2,3-dihydroquinoxaline-1-carboxylate.

What is the SMILES notation for propan-2-yl 4-acetyl-3-methyl-7-[5-methylidene-1-[(2-methylpyrazolidin-3-yl)methyl]pyrrolidin-3-yl]-2,3-dihydroquinoxaline-1-carboxylate?

The canonical SMILES for propan-2-yl 4-acetyl-3-methyl-7-[5-methylidene-1-[(2-methylpyrazolidin-3-yl)methyl]pyrrolidin-3-yl]-2,3-dihydroquinoxaline-1-carboxylate is C=C1CC(c2ccc3c(c2)N(C(=O)OC(C)C)CC(C)N3C(C)=O)CN1CC1CCNN1C.

What is the InChIKey of propan-2-yl 4-acetyl-3-methyl-7-[5-methylidene-1-[(2-methylpyrazolidin-3-yl)methyl]pyrrolidin-3-yl]-2,3-dihydroquinoxaline-1-carboxylate?

The InChIKey is BLQAJRLJJDKTOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H37N5O3/c1-16(2)33-25(32)29-13-18(4)30(19(5)31)23-8-7-20(12-24(23)29)21-11-17(3)28(14-21)15-22-9-10-26-27(22)6/h7-8,12,16,18,21-22,26H,3,9-11,13-15H2,1-2,4-6H3.

What are the key properties of propan-2-yl 4-acetyl-3-methyl-7-[5-methylidene-1-[(2-methylpyrazolidin-3-yl)methyl]pyrrolidin-3-yl]-2,3-dihydroquinoxaline-1-carboxylate?

propan-2-yl 4-acetyl-3-methyl-7-[5-methylidene-1-[(2-methylpyrazolidin-3-yl)methyl]pyrrolidin-3-yl]-2,3-dihydroquinoxaline-1-carboxylate has a molecular weight of 455.60 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for propan-2-yl 4-acetyl-3-methyl-7-[5-methylidene-1-[(2-methylpyrazolidin-3-yl)methyl]pyrrolidin-3-yl]-2,3-dihydroquinoxaline-1-carboxylate is sourced from PubChem (CID 123560770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).